2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carbonyl]amino]-4-(methylthio)butyric acid Formula: C23H22ClN5O3S MolecularWeight: 483.97048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1C3=C(C=C(C=C3)C(=O)NC(CCSC)C(=O)O)C(=NC2)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=NN=C2N1C3=C(C=C(C=C3)C(=O)NC(CCSC)C(=O)O)C(=NC2)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H22ClN5O3S/c1-13-27-28-20-12-25-21(15-5-3-4-6-17(15)24)16-11-14(7-8-19(16)29(13)20)22(30)26-18(23(31)32)9-10-33-2/h3-8,11,18H,9-10,12H2,1-2H3,(H,26,30)(H,31,32)