CAS RN: 26049-68-3
CAS Name: [4-(5-nitro-2-furanyl)-2-thiazolyl]hydrazine
OPENEYE Name: [4-(5-nitro-2-furyl)thiazol-2-yl]hydrazine
IUPAC Name: [4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]hydrazine
SYSTEMATIC NAME: [4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]diazane
MOLECULAR FORMULA: C7H6N4O3S
MOLECULAR WEIGHT: 226.21254
SMILES: C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NN
Structure:
CAS RN: 56252-49-4
CAS Name: 1-[[[anilino(sulfanylidene)methyl]amino]-[bis(2-chloroethyl)amino]phosphoryl]-3-phenylthiourea
OPENEYE Name: 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phosphoryl]-3-phenyl-thiourea
IUPAC Name: 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phosphoryl]-3-phenylthiourea
SYSTEMATIC NAME: 1-[bis(2-chloroethyl)amino-(phenylcarbamothioylamino)phosphoryl]-3-phenyl-thiourea
MOLECULAR FORMULA: C18H22Cl2N5OPS2
MOLECULAR WEIGHT: 490.409941
SMILES: C1=CC=C(C=C1)NC(=S)NP(=O)(NC(=S)NC2=CC=CC=C2)N(CCCl)CCCl
Structure:
CAS RN: 18266-72-3
CAS Name: 4-phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate
OPENEYE Name: 5-isopropyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
IUPAC Name: 4-phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate
SYSTEMATIC NAME: 4-phenyl-5-propan-2-yl-1,3,4-thiadiazol-4-ium-2-thiolate
MOLECULAR FORMULA: C11H12N2S2
MOLECULAR WEIGHT: 236.35638
SMILES: CC(C)C1=[N+](N=C(S1)[S-])C2=CC=CC=C2
Structure:
CAS RN: 32403-16-0
CAS Name: 1-(1-adamantyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(2,4-dichlorophenyl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C18H21Cl2N3S
MOLECULAR WEIGHT: 382.35044
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=C(C=C(C=C4)Cl)Cl
Structure:
CAS RN: 3143-67-7
CAS Name: 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-diphenoxyphosphorylthiourea
OPENEYE Name: 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-diphenoxyphosphoryl-thiourea
IUPAC Name: 1-[2-chloro-6-(trifluoromethyl)phenyl]-3-diphenoxyphosphorylthiourea
SYSTEMATIC NAME: 1-[2-chloranyl-6-(trifluoromethyl)phenyl]-3-diphenoxyphosphoryl-thiourea
MOLECULAR FORMULA: C20H15ClF3N2O3PS
MOLECULAR WEIGHT: 486.831671
SMILES: C1=CC=C(C=C1)OP(=O)(NC(=S)NC2=C(C=CC=C2Cl)C(F)(F)F)OC3=CC=CC=C3
Structure:
CAS RN: 31656-77-6
CAS Name: 2-azidobenzonitrile
OPENEYE Name: 2-azidobenzonitrile
IUPAC Name: 2-azidobenzonitrile
SYSTEMATIC NAME: 2-azidobenzenecarbonitrile
MOLECULAR FORMULA: C7H4N4
MOLECULAR WEIGHT: 144.13346
SMILES: C1=CC=C(C(=C1)C#N)N=[N+]=[N-]
Structure:
CAS RN: 168900-02-5
CAS Name: 3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione
OPENEYE Name: 3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione
IUPAC Name: 3-(2,4-dichlorophenyl)-6-fluoro-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: 3-(2,4-dichlorophenyl)-6-fluoranyl-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C14H7Cl2FN2O2
MOLECULAR WEIGHT: 325.121983
SMILES: C1=CC2=C(C=C1F)C(=O)N(C(=O)N2)C3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 22423-43-4
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-benzimidazole-2-thione
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-benzimidazole-2-thione
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-benzimidazole-2-thione
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-benzimidazole-2-thione
MOLECULAR FORMULA: C12H14N2O4S
MOLECULAR WEIGHT: 282.31556
SMILES: C1=CC=C2C(=C1)NC(=S)N2C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 29147-34-0
CAS Name: 4-(2-methoxyphenyl)azo-3,5-dimethyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2-methoxyphenyl)azo-3,5-dimethyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2-methoxyphenyl)diazenyl]-3,5-dimethylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2-methoxyphenyl)diazenyl]-3,5-dimethyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C13H15N5OS
MOLECULAR WEIGHT: 289.3561
SMILES: CC1=C(C(=NN1C(=S)N)C)N=NC2=CC=CC=C2OC
Structure:
CAS RN: 1816-92-8
CAS Name: 2-azidoacetic acid methyl ester
OPENEYE Name: methyl 2-azidoacetate
IUPAC Name: methyl 2-azidoacetate
SYSTEMATIC NAME: methyl 2-azidoethanoate
MOLECULAR FORMULA: C3H5N3O2
MOLECULAR WEIGHT: 115.0907
SMILES: COC(=O)CN=[N+]=[N-]
Structure:
CAS RN: 92460-84-9
CAS Name: 1-(4-bromophenyl)-3-(6-phenanthridinylmethylideneamino)thiourea
OPENEYE Name: 1-(4-bromophenyl)-3-(phenanthridin-6-ylmethyleneamino)thiourea
IUPAC Name: 1-(4-bromophenyl)-3-(phenanthridin-6-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1-(4-bromophenyl)-3-(phenanthridin-6-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C21H15BrN4S
MOLECULAR WEIGHT: 435.3396
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N=C2C=NNC(=S)NC4=CC=C(C=C4)Br
Structure:
CAS RN: 72766-17-7
CAS Name: 2-methyl-4,6-dinitro-N-(phenylmethyl)-1H-benzimidazol-5-amine
OPENEYE Name: N-benzyl-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine
IUPAC Name: N-benzyl-2-methyl-4,6-dinitro-1H-benzimidazol-5-amine
SYSTEMATIC NAME: 2-methyl-4,6-dinitro-N-(phenylmethyl)-1H-benzimidazol-5-amine
MOLECULAR FORMULA: C15H13N5O4
MOLECULAR WEIGHT: 327.29482
SMILES: CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NCC3=CC=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 56742-03-1
CAS Name: N-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)-2-nitrobenzamide
OPENEYE Name: N-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)-2-nitro-benzamide
IUPAC Name: N-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)-2-nitrobenzamide
SYSTEMATIC NAME: N-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)-2-nitro-benzamide
MOLECULAR FORMULA: C12H11N5O4
MOLECULAR WEIGHT: 289.24684
SMILES: CC1=C(C(=O)N=C(N1)N)NC(=O)C2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 86351-35-1
CAS Name: 5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-allyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C7H8N2OS
MOLECULAR WEIGHT: 168.21622
SMILES: C=CCC1=CNC(=S)NC1=O
Structure:
CAS RN: 25732-31-4
CAS Name: (7H-purin-6-ylamino)thiourea
OPENEYE Name: (7H-purin-6-ylamino)thiourea
IUPAC Name: (7H-purin-6-ylamino)thiourea
SYSTEMATIC NAME: 1-(7H-purin-6-ylamino)thiourea
MOLECULAR FORMULA: C6H7N7S
MOLECULAR WEIGHT: 209.23168
SMILES: C1=NC2=C(N1)C(=NC=N2)NNC(=S)N
Structure:
CAS RN: 7764-80-9
CAS Name: butanoic acid [3,4-bis(1-oxobutoxy)-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-di(butanoyloxy)-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl butanoate
IUPAC Name: [3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate
SYSTEMATIC NAME: [3,4-di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate
MOLECULAR FORMULA: C22H30N4O7S
MOLECULAR WEIGHT: 494.5612
SMILES: CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCC)OC(=O)CCC
Structure:
CAS RN: 52172-01-7
CAS Name: 2,8-bis(phenylmethylthio)-3,7-dihydropurin-6-one
OPENEYE Name: 2,8-bis(benzylsulfanyl)-3,7-dihydropurin-6-one
IUPAC Name: 2,8-bis(benzylsulfanyl)-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 2,8-bis(phenylmethylsulfanyl)-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C19H16N4OS2
MOLECULAR WEIGHT: 380.48654
SMILES: C1=CC=C(C=C1)CSC2=NC3=C(N2)C(=O)N=C(N3)SCC4=CC=CC=C4
Structure:
CAS RN: 22497-41-2
CAS Name: 1-[(2,4-dichlorophenyl)methylideneamino]-3-(1H-indazol-6-yl)thiourea
OPENEYE Name: 1-[(2,4-dichlorophenyl)methyleneamino]-3-(1H-indazol-6-yl)thiourea
IUPAC Name: 1-[(2,4-dichlorophenyl)methylideneamino]-3-(1H-indazol-6-yl)thiourea
SYSTEMATIC NAME: 1-[(2,4-dichlorophenyl)methylideneamino]-3-(1H-indazol-6-yl)thiourea
MOLECULAR FORMULA: C15H11Cl2N5S
MOLECULAR WEIGHT: 364.25234
SMILES: C1=CC2=C(C=C1NC(=S)NN=CC3=C(C=C(C=C3)Cl)Cl)NN=C2
Structure:
CAS RN: 2853-49-8
CAS Name: 5-nitro-N2-(2-phenylethyl)pyridine-2,3-diamine
OPENEYE Name: 5-nitro-N2-(2-phenylethyl)pyridine-2,3-diamine
IUPAC Name: 5-nitro-2-N-(2-phenylethyl)pyridine-2,3-diamine
SYSTEMATIC NAME: 5-nitro-N2-(2-phenylethyl)pyridine-2,3-diamine
MOLECULAR FORMULA: C13H14N4O2
MOLECULAR WEIGHT: 258.27586
SMILES: C1=CC=C(C=C1)CCNC2=NC=C(C=C2N)[N+](=O)[O-]
Structure:
CAS RN: 14210-45-8
CAS Name: 1-(4-nitrophenyl)-2H-tetrazole-5-thione
OPENEYE Name: 1-(4-nitrophenyl)-2H-tetrazole-5-thione
IUPAC Name: 1-(4-nitrophenyl)-2H-tetrazole-5-thione
SYSTEMATIC NAME: 1-(4-nitrophenyl)-2H-1,2,3,4-tetrazole-5-thione
MOLECULAR FORMULA: C7H5N5O2S
MOLECULAR WEIGHT: 223.2119
SMILES: C1=CC(=CC=C1N2C(=S)N=NN2)[N+](=O)[O-]
Structure:
CAS RN: 2613-10-7
CAS Name: 1-methyl-1-[(phenylmethylene)amino]thiourea
OPENEYE Name: 1-(benzylideneamino)-1-methyl-thiourea
IUPAC Name: 1-(benzylideneamino)-1-methylthiourea
SYSTEMATIC NAME: 1-methyl-1-[(phenylmethylidene)amino]thiourea
MOLECULAR FORMULA: C9H11N3S
MOLECULAR WEIGHT: 193.26874
SMILES: CN(C(=S)N)N=CC1=CC=CC=C1
Structure:
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