Friday, June 29, 2012

http://ChemLookup.com Compounds




CAS RN: 24590-39-4
CAS Name: N-[butoxy(chloro)phosphoryl]-N-ethylethanamine
OPENEYE Name: N-[butoxy(chloro)phosphoryl]-N-ethyl-ethanamine
IUPAC Name: N-[butoxy(chloro)phosphoryl]-N-ethylethanamine
SYSTEMATIC NAME: N-[butoxy(chloranyl)phosphoryl]-N-ethyl-ethanamine
MOLECULAR FORMULA: C8H19ClNO2P
MOLECULAR WEIGHT: 227.668721
SMILES: CCCCOP(=O)(N(CC)CC)Cl
Structure:

CAS RN: 40881-96-7
CAS Name: N-butyl-N-[chloro-(dibutylamino)phosphoryl]-1-butanamine
OPENEYE Name: N-butyl-N-[chloro-(dibutylamino)phosphoryl]butan-1-amine
IUPAC Name: N-butyl-N-[chloro-(dibutylamino)phosphoryl]butan-1-amine
SYSTEMATIC NAME: N-butyl-N-[chloranyl-(dibutylamino)phosphoryl]butan-1-amine
MOLECULAR FORMULA: C16H36ClN2OP
MOLECULAR WEIGHT: 338.896601
SMILES: CCCCN(CCCC)P(=O)(N(CCCC)CCCC)Cl
Structure:

CAS RN: 82585-74-8
CAS Name: N-[6-amino-4-[[3-(4-chloro-N-methylanilino)-2-oxopropyl]amino]-5-nitro-2-pyridinyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[6-amino-4-[[3-(4-chloro-N-methyl-anilino)-2-oxo-propyl]amino]-5-nitro-2-pyridyl]carbamate
IUPAC Name: ethyl N-[6-amino-4-[[3-(4-chloro-N-methylanilino)-2-oxopropyl]amino]-5-nitropyridin-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[6-azanyl-4-[[3-[(4-chlorophenyl)-methyl-amino]-2-oxidanylidene-propyl]amino]-5-nitro-pyridin-2-yl]carbamate
MOLECULAR FORMULA: C18H21ClN6O5
MOLECULAR WEIGHT: 436.84954
SMILES: CCOC(=O)NC1=NC(=C(C(=C1)NCC(=O)CN(C)C2=CC=C(C=C2)Cl)[N+](=O)[O-])N
Structure:

CAS RN: 23722-95-4
CAS Name: N-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
IUPAC Name: methyl N-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
SYSTEMATIC NAME: methyl N-[4-(hydroxymethyl)-2-oxidanyl-cyclopentyl]carbamate
MOLECULAR FORMULA: C8H15NO4
MOLECULAR WEIGHT: 189.209
SMILES: COC(=O)NC1CC(CC1O)CO
Structure:

CAS RN: 23722-88-5
CAS Name: N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
IUPAC Name: methyl N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
SYSTEMATIC NAME: methyl N-[3-(hydroxymethyl)-4-oxidanyl-cyclopentyl]carbamate
MOLECULAR FORMULA: C8H15NO4
MOLECULAR WEIGHT: 189.209
SMILES: COC(=O)NC1CC(C(C1)O)CO
Structure:

CAS RN: 38880-73-8
CAS Name: N-(4-amino-2-hydroxyphenyl)-2-thiophenesulfonamide
OPENEYE Name: N-(4-amino-2-hydroxy-phenyl)thiophene-2-sulfonamide
IUPAC Name: N-(4-amino-2-hydroxyphenyl)thiophene-2-sulfonamide
SYSTEMATIC NAME: N-(4-azanyl-2-oxidanyl-phenyl)thiophene-2-sulfonamide
MOLECULAR FORMULA: C10H10N2O3S2
MOLECULAR WEIGHT: 270.328
SMILES: C1=CSC(=C1)S(=O)(=O)NC2=C(C=C(C=C2)N)O
Structure:

CAS RN: 57065-64-2
CAS Name: 1-methyl-2,3,4,5,6,7-hexahydrophosphindole 1-oxide
OPENEYE Name: 1-methyl-2,3,4,5,6,7-hexahydrophosphindole 1-oxide
IUPAC Name: 1-methyl-2,3,4,5,6,7-hexahydrophosphindole 1-oxide
SYSTEMATIC NAME: 1-methyl-2,3,4,5,6,7-hexahydrophosphindole 1-oxide
MOLECULAR FORMULA: C9H15OP
MOLECULAR WEIGHT: 170.188561
SMILES: CP1(=O)CCC2=C1CCCC2
Structure:

CAS RN: 61183-58-2
CAS Name: 3-methyl-2,3a,4,5,6,7-hexahydro-1aH-phosphindolo[3,3a-b]oxirene 3-oxide
OPENEYE Name: 3-methyl-2,3a,4,5,6,7-hexahydro-1aH-phosphindolo[3,3a-b]oxirene 3-oxide
IUPAC Name: 3-methyl-2,3a,4,5,6,7-hexahydro-1aH-phosphindolo[3,3a-b]oxirene 3-oxide
SYSTEMATIC NAME: 3-methyl-2,3a,4,5,6,7-hexahydro-1aH-phosphindolo[3,3a-b]oxirene 3-oxide
MOLECULAR FORMULA: C9H15O2P
MOLECULAR WEIGHT: 186.187961
SMILES: CP1(=O)CC2C3(C1CCCC3)O2
Structure:

CAS RN: 78088-62-7
CAS Name: 3-methyl-6-oxa-3$l^{5}-phosphabicyclo[3.1.0]hexane 3-oxide
OPENEYE Name: 3-methyl-6-oxa-3$l^{5}-phosphabicyclo[3.1.0]hexane 3-oxide
IUPAC Name: 3-methyl-6-oxa-3$l^{5}-phosphabicyclo[3.1.0]hexane 3-oxide
SYSTEMATIC NAME: 3-methyl-6-oxa-3$l^{5}-phosphabicyclo[3.1.0]hexane 3-oxide
MOLECULAR FORMULA: C5H9O2P
MOLECULAR WEIGHT: 132.097521
SMILES: CP1(=O)CC2C(C1)O2
Structure:

CAS RN: 58311-83-4
CAS Name: 1-methyl-1-sulfanylidene-1$l^{5}-phospholan-3-one
OPENEYE Name: 1-methyl-1-thioxo-1$l^{5}-phospholan-3-one
IUPAC Name: 1-methyl-1-sulfanylidene-1$l^{5}-phospholan-3-one
SYSTEMATIC NAME: 1-methyl-1-sulfanylidene-1$l^{5}-phospholan-3-one
MOLECULAR FORMULA: C5H9OPS
MOLECULAR WEIGHT: 148.163121
SMILES: CP1(=S)CCC(=O)C1
Structure:

CAS RN: 61361-12-4
CAS Name: 1,5-bis(4-bromophenyl)-1,5-diazocane-3,7-diol
OPENEYE Name: 1,5-bis(4-bromophenyl)-1,5-diazocane-3,7-diol
IUPAC Name: 1,5-bis(4-bromophenyl)-1,5-diazocane-3,7-diol
SYSTEMATIC NAME: 1,5-bis(4-bromophenyl)-1,5-diazocane-3,7-diol
MOLECULAR FORMULA: C18H20Br2N2O2
MOLECULAR WEIGHT: 456.1716
SMILES: C1C(CN(CC(CN1C2=CC=C(C=C2)Br)O)C3=CC=C(C=C3)Br)O
Structure:

CAS RN: 42088-41-5
CAS Name: 1-(methylthio)isoquinoline
OPENEYE Name: 1-methylsulfanylisoquinoline
IUPAC Name: 1-methylsulfanylisoquinoline
SYSTEMATIC NAME: 1-methylsulfanylisoquinoline
MOLECULAR FORMULA: C10H9NS
MOLECULAR WEIGHT: 175.25016
SMILES: CSC1=NC=CC2=CC=CC=C21
Structure:

CAS RN: 46000-25-3
CAS Name: 4-(methylthio)quinoline
OPENEYE Name: 4-methylsulfanylquinoline
IUPAC Name: 4-methylsulfanylquinoline
SYSTEMATIC NAME: 4-methylsulfanylquinoline
MOLECULAR FORMULA: C10H9NS
MOLECULAR WEIGHT: 175.25016
SMILES: CSC1=CC=NC2=CC=CC=C21
Structure:

CAS RN: 33667-51-5
CAS Name: 1-propan-2-yl-2-azetidinecarboxylic acid methyl ester
OPENEYE Name: methyl 1-isopropylazetidine-2-carboxylate
IUPAC Name: methyl 1-propan-2-ylazetidine-2-carboxylate
SYSTEMATIC NAME: methyl 1-propan-2-ylazetidine-2-carboxylate
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: CC(C)N1CCC1C(=O)OC
Structure:

CAS RN: 53628-22-1
CAS Name: 3-anilino-2-(4-methylphenyl)-4-quinazolinethione
OPENEYE Name: 3-anilino-2-(p-tolyl)quinazoline-4-thione
IUPAC Name: 3-anilino-2-(4-methylphenyl)quinazoline-4-thione
SYSTEMATIC NAME: 2-(4-methylphenyl)-3-phenylazanyl-quinazoline-4-thione
MOLECULAR FORMULA: C21H17N3S
MOLECULAR WEIGHT: 343.44478
SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=S)N2NC4=CC=CC=C4
Structure:

CAS RN: 13961-48-3
CAS Name: 2,3-diphenyl-4-quinazolinethione
OPENEYE Name: 2,3-diphenylquinazoline-4-thione
IUPAC Name: 2,3-diphenylquinazoline-4-thione
SYSTEMATIC NAME: 2,3-diphenylquinazoline-4-thione
MOLECULAR FORMULA: C20H14N2S
MOLECULAR WEIGHT: 314.40356
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=S)N2C4=CC=CC=C4
Structure:

CAS RN: 17240-30-1
CAS Name: 2-phenyl-3,1-benzothiazine-4-thione
OPENEYE Name: 2-phenyl-3,1-benzothiazine-4-thione
IUPAC Name: 2-phenyl-3,1-benzothiazine-4-thione
SYSTEMATIC NAME: 2-phenyl-3,1-benzothiazine-4-thione
MOLECULAR FORMULA: C14H9NS2
MOLECULAR WEIGHT: 255.35796
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=S)S2
Structure:

CAS RN: 62875-54-1
CAS Name: 2-cyano-3-(1-naphthalenyl)butanehydrazide
OPENEYE Name: 2-cyano-3-(1-naphthyl)butanehydrazide
IUPAC Name: 2-cyano-3-naphthalen-1-ylbutanehydrazide
SYSTEMATIC NAME: 2-cyano-3-naphthalen-1-yl-butanehydrazide
MOLECULAR FORMULA: C15H15N3O
MOLECULAR WEIGHT: 253.2991
SMILES: CC(C1=CC=CC2=CC=CC=C21)C(C#N)C(=O)NN
Structure:

CAS RN: 62875-49-4
CAS Name: 2-cyano-3-(1-naphthalenyl)-3-phenylpropanoic acid ethyl ester
OPENEYE Name: ethyl 2-cyano-3-(1-naphthyl)-3-phenyl-propanoate
IUPAC Name: ethyl 2-cyano-3-naphthalen-1-yl-3-phenylpropanoate
SYSTEMATIC NAME: ethyl 2-cyano-3-naphthalen-1-yl-3-phenyl-propanoate
MOLECULAR FORMULA: C22H19NO2
MOLECULAR WEIGHT: 329.39176
SMILES: CCOC(=O)C(C#N)C(C1=CC=CC=C1)C2=CC=CC3=CC=CC=C32
Structure:

CAS RN: 52962-65-9
CAS Name: 2-[1-naphthalenyl(phenyl)methyl]propanedinitrile
OPENEYE Name: 2-[1-naphthyl(phenyl)methyl]propanedinitrile
IUPAC Name: 2-[naphthalen-1-yl(phenyl)methyl]propanedinitrile
SYSTEMATIC NAME: 2-[naphthalen-1-yl(phenyl)methyl]propanedinitrile
MOLECULAR FORMULA: C20H14N2
MOLECULAR WEIGHT: 282.33856
SMILES: C1=CC=C(C=C1)C(C2=CC=CC3=CC=CC=C32)C(C#N)C#N
Structure:

CAS RN: 52962-62-6
CAS Name: 2-[1-(1-naphthalenyl)propyl]propanedinitrile
OPENEYE Name: 2-[1-(1-naphthyl)propyl]propanedinitrile
IUPAC Name: 2-(1-naphthalen-1-ylpropyl)propanedinitrile
SYSTEMATIC NAME: 2-(1-naphthalen-1-ylpropyl)propanedinitrile
MOLECULAR FORMULA: C16H14N2
MOLECULAR WEIGHT: 234.29576
SMILES: CCC(C1=CC=CC2=CC=CC=C21)C(C#N)C#N
Structure:

CAS RN: 52962-54-6
CAS Name: 2-(9-butyl-9-thioxanthenyl)propanedinitrile
OPENEYE Name: 2-(9-butylthioxanthen-9-yl)propanedinitrile
IUPAC Name: 2-(9-butylthioxanthen-9-yl)propanedinitrile
SYSTEMATIC NAME: 2-(9-butylthioxanthen-9-yl)propanedinitrile
MOLECULAR FORMULA: C20H18N2S
MOLECULAR WEIGHT: 318.43532
SMILES: CCCCC1(C2=CC=CC=C2SC3=CC=CC=C31)C(C#N)C#N
Structure:

CAS RN: 53036-40-1
CAS Name: 2-(9-propan-2-yl-9-thioxanthenyl)propanedinitrile
OPENEYE Name: 2-(9-isopropylthioxanthen-9-yl)propanedinitrile
IUPAC Name: 2-(9-propan-2-ylthioxanthen-9-yl)propanedinitrile
SYSTEMATIC NAME: 2-(9-propan-2-ylthioxanthen-9-yl)propanedinitrile
MOLECULAR FORMULA: C19H16N2S
MOLECULAR WEIGHT: 304.40874
SMILES: CC(C)C1(C2=CC=CC=C2SC3=CC=CC=C31)C(C#N)C#N
Structure:

CAS RN: 52962-57-9
CAS Name: 2-(9-ethyl-9-thioxanthenyl)propanedinitrile
OPENEYE Name: 2-(9-ethylthioxanthen-9-yl)propanedinitrile
IUPAC Name: 2-(9-ethylthioxanthen-9-yl)propanedinitrile
SYSTEMATIC NAME: 2-(9-ethylthioxanthen-9-yl)propanedinitrile
MOLECULAR FORMULA: C18H14N2S
MOLECULAR WEIGHT: 290.38216
SMILES: CCC1(C2=CC=CC=C2SC3=CC=CC=C31)C(C#N)C#N
Structure:

CAS RN: 52962-56-8
CAS Name: 2-(9-methyl-9-thioxanthenyl)propanedinitrile
OPENEYE Name: 2-(9-methylthioxanthen-9-yl)propanedinitrile
IUPAC Name: 2-(9-methylthioxanthen-9-yl)propanedinitrile
SYSTEMATIC NAME: 2-(9-methylthioxanthen-9-yl)propanedinitrile
MOLECULAR FORMULA: C17H12N2S
MOLECULAR WEIGHT: 276.35558
SMILES: CC1(C2=CC=CC=C2SC3=CC=CC=C31)C(C#N)C#N
Structure:

CAS RN: 52962-55-7
CAS Name: 2-(9-butyl-9-xanthenyl)propanedinitrile
OPENEYE Name: 2-(9-butylxanthen-9-yl)propanedinitrile
IUPAC Name: 2-(9-butylxanthen-9-yl)propanedinitrile
SYSTEMATIC NAME: 2-(9-butylxanthen-9-yl)propanedinitrile
MOLECULAR FORMULA: C20H18N2O
MOLECULAR WEIGHT: 302.36972
SMILES: CCCCC1(C2=CC=CC=C2OC3=CC=CC=C31)C(C#N)C#N
Structure:

CAS RN: 55781-70-9
CAS Name: 5-amino-1-(3,4,5-trihydroxy-2-oxanyl)-4-imidazolecarboxamide
OPENEYE Name: 5-amino-1-(3,4,5-trihydroxytetrahydropyran-2-yl)imidazole-4-carboxamide
IUPAC Name: 5-amino-1-(3,4,5-trihydroxyoxan-2-yl)imidazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-1-[3,4,5-tris(oxidanyl)oxan-2-yl]imidazole-4-carboxamide
MOLECULAR FORMULA: C9H14N4O5
MOLECULAR WEIGHT: 258.23126
SMILES: C1C(C(C(C(O1)N2C=NC(=C2N)C(=O)N)O)O)O
Structure:

CAS RN: 55781-71-0
CAS Name: 5-amino-1-(3,4,5-trihydroxy-2-oxanyl)-4-imidazolecarboxamide
OPENEYE Name: 5-amino-1-(3,4,5-trihydroxytetrahydropyran-2-yl)imidazole-4-carboxamide
IUPAC Name: 5-amino-1-(3,4,5-trihydroxyoxan-2-yl)imidazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-1-[3,4,5-tris(oxidanyl)oxan-2-yl]imidazole-4-carboxamide
MOLECULAR FORMULA: C9H14N4O5
MOLECULAR WEIGHT: 258.23126
SMILES: C1C(C(C(C(O1)N2C=NC(=C2N)C(=O)N)O)O)O
Structure:

CAS RN: 64044-31-1
CAS Name: 5-amino-1-(3,4,5-trihydroxy-2-oxanyl)-4-imidazolecarboxamide
OPENEYE Name: 5-amino-1-(3,4,5-trihydroxytetrahydropyran-2-yl)imidazole-4-carboxamide
IUPAC Name: 5-amino-1-(3,4,5-trihydroxyoxan-2-yl)imidazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-1-[3,4,5-tris(oxidanyl)oxan-2-yl]imidazole-4-carboxamide
MOLECULAR FORMULA: C9H14N4O5
MOLECULAR WEIGHT: 258.23126
SMILES: C1C(C(C(C(O1)N2C=NC(=C2N)C(=O)N)O)O)O
Structure:

CAS RN: 57280-84-9
CAS Name: N-(5-chloro-2-methylphenyl)-1-thiophen-2-ylmethanimine
OPENEYE Name: N-(5-chloro-2-methyl-phenyl)-1-(2-thienyl)methanimine
IUPAC Name: N-(5-chloro-2-methylphenyl)-1-thiophen-2-ylmethanimine
SYSTEMATIC NAME: N-(5-chloranyl-2-methyl-phenyl)-1-thiophen-2-yl-methanimine
MOLECULAR FORMULA: C12H10ClNS
MOLECULAR WEIGHT: 235.7325
SMILES: CC1=C(C=C(C=C1)Cl)N=CC2=CC=CS2
Structure:

CAS RN: 18210-01-0
CAS Name: 4-(thiophen-2-ylmethylideneamino)phenol
OPENEYE Name: 4-(2-thienylmethyleneamino)phenol
IUPAC Name: 4-(thiophen-2-ylmethylideneamino)phenol
SYSTEMATIC NAME: 4-(thiophen-2-ylmethylideneamino)phenol
MOLECULAR FORMULA: C11H9NOS
MOLECULAR WEIGHT: 203.26026
SMILES: C1=CSC(=C1)C=NC2=CC=C(C=C2)O
Structure:

CAS RN: 81336-01-8
CAS Name: N-(2,4-dichlorophenyl)-1-thiophen-2-ylmethanimine
OPENEYE Name: N-(2,4-dichlorophenyl)-1-(2-thienyl)methanimine
IUPAC Name: N-(2,4-dichlorophenyl)-1-thiophen-2-ylmethanimine
SYSTEMATIC NAME: N-(2,4-dichlorophenyl)-1-thiophen-2-yl-methanimine
MOLECULAR FORMULA: C11H7Cl2NS
MOLECULAR WEIGHT: 256.15098
SMILES: C1=CSC(=C1)C=NC2=C(C=C(C=C2)Cl)Cl
Structure:

CAS RN: 13533-31-8
CAS Name: N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine
OPENEYE Name: N-(4-chlorophenyl)-1-(2-thienyl)methanimine
IUPAC Name: N-(4-chlorophenyl)-1-thiophen-2-ylmethanimine
SYSTEMATIC NAME: N-(4-chlorophenyl)-1-thiophen-2-yl-methanimine
MOLECULAR FORMULA: C11H8ClNS
MOLECULAR WEIGHT: 221.70592
SMILES: C1=CSC(=C1)C=NC2=CC=C(C=C2)Cl
Structure:

CAS RN: 51305-80-7
CAS Name: N-(4-fluorophenyl)-1-thiophen-2-ylmethanimine
OPENEYE Name: N-(4-fluorophenyl)-1-(2-thienyl)methanimine
IUPAC Name: N-(4-fluorophenyl)-1-thiophen-2-ylmethanimine
SYSTEMATIC NAME: N-(4-fluorophenyl)-1-thiophen-2-yl-methanimine
MOLECULAR FORMULA: C11H8FNS
MOLECULAR WEIGHT: 205.251323
SMILES: C1=CSC(=C1)C=NC2=CC=C(C=C2)F
Structure:

CAS RN: 51305-67-0
CAS Name: N-(3,4-dichlorophenyl)-1-thiophen-2-ylmethanimine
OPENEYE Name: N-(3,4-dichlorophenyl)-1-(2-thienyl)methanimine
IUPAC Name: N-(3,4-dichlorophenyl)-1-thiophen-2-ylmethanimine
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-1-thiophen-2-yl-methanimine
MOLECULAR FORMULA: C11H7Cl2NS
MOLECULAR WEIGHT: 256.15098
SMILES: C1=CSC(=C1)C=NC2=CC(=C(C=C2)Cl)Cl
Structure:

CAS RN: 27283-22-3
CAS Name: 1,3-bis(1-naphthalenyl)-1,3,5-triazinane-2,4,6-trione
OPENEYE Name: 1,3-bis(1-naphthyl)-1,3,5-triazinane-2,4,6-trione
IUPAC Name: 1,3-dinaphthalen-1-yl-1,3,5-triazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-dinaphthalen-1-yl-1,3,5-triazinane-2,4,6-trione
MOLECULAR FORMULA: C23H15N3O3
MOLECULAR WEIGHT: 381.3835
SMILES: C1=CC=C2C(=C1)C=CC=C2N3C(=O)NC(=O)N(C3=O)C4=CC=CC5=CC=CC=C54
Structure:

CAS RN: 56527-31-2
CAS Name: 2-[[[4-[(2,4-diamino-6-pteridinyl)methylthio]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylsulfanyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C19H19N7O5S
MOLECULAR WEIGHT: 457.46306
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)SCC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:

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