CAS RN: 6629-51-2
CAS Name: [[hydrazinyl(sulfanylidene)methyl]amino]urea
OPENEYE Name: (aminocarbamothioylamino)urea
IUPAC Name: (aminocarbamothioylamino)urea
SYSTEMATIC NAME: 1-(azanylcarbamothioylamino)urea
MOLECULAR FORMULA: C2H7N5OS
MOLECULAR WEIGHT: 149.17488
SMILES: C(=O)(N)NNC(=S)NN
Structure:
CAS RN: 39077-64-0
CAS Name: (E)-2,3-diphenyl-3-(2-pyridinyl)-2-propenenitrile
OPENEYE Name: (E)-2,3-diphenyl-3-(2-pyridyl)prop-2-enenitrile
IUPAC Name: (E)-2,3-diphenyl-3-pyridin-2-ylprop-2-enenitrile
SYSTEMATIC NAME: (E)-2,3-diphenyl-3-pyridin-2-yl-prop-2-enenitrile
MOLECULAR FORMULA: C20H14N2
MOLECULAR WEIGHT: 282.33856
SMILES: C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=CC=N3)/C#N
Structure:
CAS RN: 94546-56-2
CAS Name: (E)-2-(4-chlorophenyl)-3-phenyl-3-(2-pyridinyl)-2-propenenitrile
OPENEYE Name: (E)-2-(4-chlorophenyl)-3-phenyl-3-(2-pyridyl)prop-2-enenitrile
IUPAC Name: (E)-2-(4-chlorophenyl)-3-phenyl-3-pyridin-2-ylprop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(4-chlorophenyl)-3-phenyl-3-pyridin-2-yl-prop-2-enenitrile
MOLECULAR FORMULA: C20H13ClN2
MOLECULAR WEIGHT: 316.78362
SMILES: C1=CC=C(C=C1)/C(=C(\C#N)/C2=CC=C(C=C2)Cl)/C3=CC=CC=N3
Structure:
CAS RN: 5339-75-3
CAS Name: 3-(2-hydroxyethyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
OPENEYE Name: 3-(2-hydroxyethyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
IUPAC Name: 3-(2-hydroxyethyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 3-(2-hydroxyethyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C9H16N2OS
MOLECULAR WEIGHT: 200.30114
SMILES: CC1=CC(NC(=S)N1CCO)(C)C
Structure:
CAS RN: 63690-23-3
CAS Name: 4,6,6-trimethyl-3-[4-methyl-3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]-1H-pyrimidine-2-thione
OPENEYE Name: 4,6,6-trimethyl-3-[4-methyl-3-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)phenyl]-1H-pyrimidine-2-thione
IUPAC Name: 4,6,6-trimethyl-3-[4-methyl-3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 4,6,6-trimethyl-3-[4-methyl-3-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C21H28N4S2
MOLECULAR WEIGHT: 400.60382
SMILES: CC1=C(C=C(C=C1)N2C(=CC(NC2=S)(C)C)C)N3C(=CC(NC3=S)(C)C)C
Structure:
CAS RN: 64050-49-3
CAS Name: 5,5-dimethyl-2-thiazolidinethione
OPENEYE Name: 5,5-dimethylthiazolidine-2-thione
IUPAC Name: 5,5-dimethyl-1,3-thiazolidine-2-thione
SYSTEMATIC NAME: 5,5-dimethyl-1,3-thiazolidine-2-thione
MOLECULAR FORMULA: C5H9NS2
MOLECULAR WEIGHT: 147.26166
SMILES: CC1(CNC(=S)S1)C
Structure:
CAS RN: 6299-58-7
CAS Name: 6-amino-5,5-diethyl-2-sulfanylidene-4-pyrimidinone
OPENEYE Name: 6-amino-5,5-diethyl-2-thioxo-pyrimidin-4-one
IUPAC Name: 6-amino-5,5-diethyl-2-sulfanylidenepyrimidin-4-one
SYSTEMATIC NAME: 6-azanyl-5,5-diethyl-2-sulfanylidene-pyrimidin-4-one
MOLECULAR FORMULA: C8H13N3OS
MOLECULAR WEIGHT: 199.27332
SMILES: CCC1(C(=NC(=S)NC1=O)N)CC
Structure:
CAS RN: 6308-40-3
CAS Name: 1,3-diazinane-2,4,6-trithione
OPENEYE Name: hexahydropyrimidine-2,4,6-trithione
IUPAC Name: 1,3-diazinane-2,4,6-trithione
SYSTEMATIC NAME: 1,3-diazinane-2,4,6-trithione
MOLECULAR FORMULA: C4H4N2S3
MOLECULAR WEIGHT: 176.28296
SMILES: C1C(=S)NC(=S)NC1=S
Structure:
CAS RN: 14255-79-9
CAS Name: 1-(4-chlorophenyl)-3-prop-2-enylthiourea
OPENEYE Name: 1-allyl-3-(4-chlorophenyl)thiourea
IUPAC Name: 1-(4-chlorophenyl)-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C10H11ClN2S
MOLECULAR WEIGHT: 226.72574
SMILES: C=CCNC(=S)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 92348-14-6
CAS Name: 2-[[[2-[[(carboxymethylthio)-sulfanylidenemethyl]amino]ethylamino]-sulfanylidenemethyl]thio]acetic acid
OPENEYE Name: 2-[2-(carboxymethylsulfanylcarbothioylamino)ethylcarbamothioylsulfanyl]acetic acid
IUPAC Name: 2-[2-(carboxymethylsulfanylcarbothioylamino)ethylcarbamothioylsulfanyl]acetic acid
SYSTEMATIC NAME: 2-[2-(2-hydroxy-2-oxoethylsulfanylcarbothioylamino)ethylcarbamothioylsulfanyl]ethanoic acid
MOLECULAR FORMULA: C8H12N2O4S4
MOLECULAR WEIGHT: 328.45188
SMILES: C(CNC(=S)SCC(=O)O)NC(=S)SCC(=O)O
Structure:
CAS RN: 64059-06-9
CAS Name: 2-[[[2-[[(carboxymethylthio)-sulfanylidenemethyl]amino]ethylamino]-sulfanylidenemethyl]thio]acetic acid
OPENEYE Name: 2-[2-(carboxymethylsulfanylcarbothioylamino)ethylcarbamothioylsulfanyl]acetic acid
IUPAC Name: 2-[2-(carboxymethylsulfanylcarbothioylamino)ethylcarbamothioylsulfanyl]acetic acid
SYSTEMATIC NAME: 2-[2-(2-hydroxy-2-oxoethylsulfanylcarbothioylamino)ethylcarbamothioylsulfanyl]ethanoic acid
MOLECULAR FORMULA: C8H12N2O4S4
MOLECULAR WEIGHT: 328.45188
SMILES: C(CNC(=S)SCC(=O)O)NC(=S)SCC(=O)O
Structure:
CAS RN: 6949-01-5
CAS Name: 1,3-bis(3-methyl-2-pyridinyl)thiourea
OPENEYE Name: 1,3-bis(3-methyl-2-pyridyl)thiourea
IUPAC Name: 1,3-bis(3-methylpyridin-2-yl)thiourea
SYSTEMATIC NAME: 1,3-bis(3-methylpyridin-2-yl)thiourea
MOLECULAR FORMULA: C13H14N4S
MOLECULAR WEIGHT: 258.34206
SMILES: CC1=C(N=CC=C1)NC(=S)NC2=C(C=CC=N2)C
Structure:
CAS RN: 5440-93-7
CAS Name: 1,3-bis(6-methyl-2-pyridinyl)thiourea
OPENEYE Name: 1,3-bis(6-methyl-2-pyridyl)thiourea
IUPAC Name: 1,3-bis(6-methylpyridin-2-yl)thiourea
SYSTEMATIC NAME: 1,3-bis(6-methylpyridin-2-yl)thiourea
MOLECULAR FORMULA: C13H14N4S
MOLECULAR WEIGHT: 258.34206
SMILES: CC1=NC(=CC=C1)NC(=S)NC2=CC=CC(=N2)C
Structure:
CAS RN: 5440-92-6
CAS Name: 1,3-bis(4-methyl-2-pyridinyl)thiourea
OPENEYE Name: 1,3-bis(4-methyl-2-pyridyl)thiourea
IUPAC Name: 1,3-bis(4-methylpyridin-2-yl)thiourea
SYSTEMATIC NAME: 1,3-bis(4-methylpyridin-2-yl)thiourea
MOLECULAR FORMULA: C13H14N4S
MOLECULAR WEIGHT: 258.34206
SMILES: CC1=CC(=NC=C1)NC(=S)NC2=NC=CC(=C2)C
Structure:
CAS RN: 16407-30-0
CAS Name: 1,3-bis(5-methyl-2-pyridinyl)thiourea
OPENEYE Name: 1,3-bis(5-methyl-2-pyridyl)thiourea
IUPAC Name: 1,3-bis(5-methylpyridin-2-yl)thiourea
SYSTEMATIC NAME: 1,3-bis(5-methylpyridin-2-yl)thiourea
MOLECULAR FORMULA: C13H14N4S
MOLECULAR WEIGHT: 258.34206
SMILES: CC1=CN=C(C=C1)NC(=S)NC2=NC=C(C=C2)C
Structure:
CAS RN: 3082-38-0
CAS Name: 1,2,4,7-dithiadiazocane-3,8-dithione
OPENEYE Name: 1,2,4,7-dithiadiazocane-3,8-dithione
IUPAC Name: 1,2,4,7-dithiadiazocane-3,8-dithione
SYSTEMATIC NAME: 1,2,4,7-dithiadiazocane-3,8-dithione
MOLECULAR FORMULA: C4H6N2S4
MOLECULAR WEIGHT: 210.36384
SMILES: C1CNC(=S)SSC(=S)N1
Structure:
CAS RN: 5453-50-9
CAS Name: 5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dithione
OPENEYE Name: 5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dithione
IUPAC Name: 5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dithione
SYSTEMATIC NAME: 5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dithione
MOLECULAR FORMULA: C5H4N4S2
MOLECULAR WEIGHT: 184.24206
SMILES: C1=NC2=C(N1)C(=S)NNC2=S
Structure:
CAS RN: 875-67-2
CAS Name: 1H-cinnoline-4-thione
OPENEYE Name: 1H-cinnoline-4-thione
IUPAC Name: 1H-cinnoline-4-thione
SYSTEMATIC NAME: 1H-cinnoline-4-thione
MOLECULAR FORMULA: C8H6N2S
MOLECULAR WEIGHT: 162.21164
SMILES: C1=CC=C2C(=C1)C(=S)C=NN2
Structure:
CAS RN: 5446-54-8
CAS Name: 1-(dibutylamino)-3-phenylthiourea
OPENEYE Name: 1-(dibutylamino)-3-phenyl-thiourea
IUPAC Name: 1-(dibutylamino)-3-phenylthiourea
SYSTEMATIC NAME: 1-(dibutylamino)-3-phenyl-thiourea
MOLECULAR FORMULA: C15H25N3S
MOLECULAR WEIGHT: 279.4441
SMILES: CCCCN(CCCC)NC(=S)NC1=CC=CC=C1
Structure:
CAS RN: 5438-35-7
CAS Name: 6,7-dihydroxy-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydropyrano[2,3-d]oxazole-2-thione
OPENEYE Name: 6,7-dihydroxy-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydropyrano[2,3-d]oxazole-2-thione
IUPAC Name: 6,7-dihydroxy-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydropyrano[2,3-d][1,3]oxazole-2-thione
SYSTEMATIC NAME: 5-(hydroxymethyl)-6,7-bis(oxidanyl)-3,3a,5,6,7,7a-hexahydropyrano[2,3-d][1,3]oxazole-2-thione
MOLECULAR FORMULA: C7H11NO5S
MOLECULAR WEIGHT: 221.23094
SMILES: C(C1C(C(C2C(O1)NC(=S)O2)O)O)O
Structure:
CAS RN: 5439-71-4
CAS Name: N-cyclohexylcarbamodithioic acid [[(cyclohexylamino)-sulfanylidenemethyl]trisulfanyl] ester
OPENEYE Name: (cyclohexylcarbamothioyltrisulfanyl) N-cyclohexylcarbamodithioate
IUPAC Name: (cyclohexylcarbamothioyltrisulfanyl) N-cyclohexylcarbamodithioate
SYSTEMATIC NAME: (cyclohexylcarbamothioyltrisulfanyl) N-cyclohexylcarbamodithioate
MOLECULAR FORMULA: C14H24N2S6
MOLECULAR WEIGHT: 412.74376
SMILES: C1CCC(CC1)NC(=S)SSSSC(=S)NC2CCCCC2
Structure:
CAS RN: 5439-68-9
CAS Name: 2-spiro[5,6,7,8-tetrahydro-3H-1,3-benzothiazine-4,1'-cyclohexane]thione
OPENEYE Name: spiro[5,6,7,8-tetrahydro-3H-1,3-benzothiazine-4,1'-cyclohexane]-2-thione
IUPAC Name: spiro[5,6,7,8-tetrahydro-3H-1,3-benzothiazine-4,1'-cyclohexane]-2-thione
SYSTEMATIC NAME: spiro[5,6,7,8-tetrahydro-3H-1,3-benzothiazine-4,1'-cyclohexane]-2-thione
MOLECULAR FORMULA: C13H19NS2
MOLECULAR WEIGHT: 253.42666
SMILES: C1CCC2(CC1)C3=C(CCCC3)SC(=S)N2
Structure:
CAS RN: 5463-62-7
CAS Name: N-butylcarbamodithioic acid [[butylamino(sulfanylidene)methyl]disulfanyl] ester
OPENEYE Name: (butylcarbamothioyldisulfanyl) N-butylcarbamodithioate
IUPAC Name: (butylcarbamothioyldisulfanyl) N-butylcarbamodithioate
SYSTEMATIC NAME: (butylcarbamothioyldisulfanyl) N-butylcarbamodithioate
MOLECULAR FORMULA: C10H20N2S5
MOLECULAR WEIGHT: 328.6042
SMILES: CCCCNC(=S)SSSC(=S)NCCCC
Structure:
CAS RN: 5439-57-6
CAS Name: N-methylcarbamodithioic acid [[methylamino(sulfanylidene)methyl]trisulfanyl] ester
OPENEYE Name: (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate
IUPAC Name: (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate
SYSTEMATIC NAME: (methylcarbamothioyltrisulfanyl) N-methylcarbamodithioate
MOLECULAR FORMULA: C4H8N2S6
MOLECULAR WEIGHT: 276.50972
SMILES: CNC(=S)SSSSC(=S)NC
Structure:
CAS RN: 5439-56-5
CAS Name: N-methylcarbamodithioic acid [[methylamino(sulfanylidene)methyl]disulfanyl] ester
OPENEYE Name: (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate
IUPAC Name: (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate
SYSTEMATIC NAME: (methylcarbamothioyldisulfanyl) N-methylcarbamodithioate
MOLECULAR FORMULA: C4H8N2S5
MOLECULAR WEIGHT: 244.44472
SMILES: CNC(=S)SSSC(=S)NC
Structure:
CAS RN: 45974-78-5
CAS Name: 5-methyl-1,2,4,7-dithiadiazocane-3,8-dithione
OPENEYE Name: 5-methyl-1,2,4,7-dithiadiazocane-3,8-dithione
IUPAC Name: 5-methyl-1,2,4,7-dithiadiazocane-3,8-dithione
SYSTEMATIC NAME: 5-methyl-1,2,4,7-dithiadiazocane-3,8-dithione
MOLECULAR FORMULA: C5H8N2S4
MOLECULAR WEIGHT: 224.39042
SMILES: CC1CNC(=S)SSC(=S)N1
Structure:
CAS RN: 7203-96-5
CAS Name: 2-azepanethione
OPENEYE Name: azepane-2-thione
IUPAC Name: azepane-2-thione
SYSTEMATIC NAME: azepane-2-thione
MOLECULAR FORMULA: C6H11NS
MOLECULAR WEIGHT: 129.22324
SMILES: C1CCC(=S)NCC1
Structure:
CAS RN: 6292-04-2
CAS Name: 5-(2,4,4-trimethylpentan-2-yldisulfanyl)-3H-1,3,4-thiadiazole-2-thione
OPENEYE Name: 5-(1,1,3,3-tetramethylbutyldisulfanyl)-3H-1,3,4-thiadiazole-2-thione
IUPAC Name: 5-(2,4,4-trimethylpentan-2-yldisulfanyl)-3H-1,3,4-thiadiazole-2-thione
SYSTEMATIC NAME: 5-(2,4,4-trimethylpentan-2-yldisulfanyl)-3H-1,3,4-thiadiazole-2-thione
MOLECULAR FORMULA: C10H18N2S4
MOLECULAR WEIGHT: 294.52332
SMILES: CC(C)(C)CC(C)(C)SSC1=NNC(=S)S1
Structure:
CAS RN: 273388-09-3
CAS Name: N-[3-chloro-4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide
OPENEYE Name: N-[3-chloro-4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide
IUPAC Name: N-[3-chloro-4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
SYSTEMATIC NAME: N-[3-chloranyl-4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C22H18Cl2FN3O3S
MOLECULAR WEIGHT: 494.366023
SMILES: COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)Cl)Cl)OC
Structure:
CAS RN: 307556-44-1
CAS Name: N-[3-chloro-4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]formamide
OPENEYE Name: N-[3-chloro-4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]formamide
IUPAC Name: N-[3-chloro-4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]formamide
SYSTEMATIC NAME: N-[3-chloranyl-4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]methanamide
MOLECULAR FORMULA: C16H15Cl2N3O3S
MOLECULAR WEIGHT: 400.2796
SMILES: COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(C=C2)NC=O)Cl)Cl)OC
Structure:
CAS RN: 6492-48-4
CAS Name: (3-amino-4-methylphenyl)thiourea
OPENEYE Name: (3-amino-4-methyl-phenyl)thiourea
IUPAC Name: (3-amino-4-methylphenyl)thiourea
SYSTEMATIC NAME: 1-(3-azanyl-4-methyl-phenyl)thiourea
MOLECULAR FORMULA: C8H11N3S
MOLECULAR WEIGHT: 181.25804
SMILES: CC1=C(C=C(C=C1)NC(=S)N)N
Structure:
CAS RN: 3394-09-0
CAS Name: (2-aminophenyl)thiourea
OPENEYE Name: (2-aminophenyl)thiourea
IUPAC Name: (2-aminophenyl)thiourea
SYSTEMATIC NAME: 1-(2-aminophenyl)thiourea
MOLECULAR FORMULA: C7H9N3S
MOLECULAR WEIGHT: 167.23146
SMILES: C1=CC=C(C(=C1)N)NC(=S)N
Structure:
CAS RN: 33942-49-3
CAS Name: 2-(carbamothioylamino)benzoic acid
OPENEYE Name: 2-(carbamothioylamino)benzoic acid
IUPAC Name: 2-(carbamothioylamino)benzoic acid
SYSTEMATIC NAME: 2-(carbamothioylamino)benzoic acid
MOLECULAR FORMULA: C8H8N2O2S
MOLECULAR WEIGHT: 196.22632
SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=S)N
Structure:
CAS RN: 1520-26-9
CAS Name: (2-hydroxyphenyl)thiourea
OPENEYE Name: (2-hydroxyphenyl)thiourea
IUPAC Name: (2-hydroxyphenyl)thiourea
SYSTEMATIC NAME: 1-(2-hydroxyphenyl)thiourea
MOLECULAR FORMULA: C7H8N2OS
MOLECULAR WEIGHT: 168.21622
SMILES: C1=CC=C(C(=C1)NC(=S)N)O
Structure:
CAS RN: 19545-26-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H24O8
MOLECULAR WEIGHT: 428.43186
SMILES: CC(=O)O[C@@H]1C[C@]2(C(CCC2=O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C
Structure:
CAS RN: 67066-05-1
CAS Name: 7-anilino-6-phenyl-1$l^{4},2-dithia-4,6,8-triazabicyclo[3.3.0]octa-1(5),7-diene-3-thione
OPENEYE Name: 7-anilino-6-phenyl-1$l^{4},2-dithia-4,6,8-triazabicyclo[3.3.0]octa-1(5),7-diene-3-thione
IUPAC Name: 7-anilino-6-phenyl-1$l^{4},2-dithia-4,6,8-triazabicyclo[3.3.0]octa-1(5),7-diene-3-thione
SYSTEMATIC NAME: 6-phenyl-7-phenylazanyl-1$l^{4},2-dithia-4,6,8-triazabicyclo[3.3.0]octa-1(5),7-diene-3-thione
MOLECULAR FORMULA: C15H12N4S3
MOLECULAR WEIGHT: 344.47758
SMILES: C1=CC=C(C=C1)NC2=NS3=C(N2C4=CC=CC=C4)NC(=S)S3
Structure:
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