1-methyl-8-methylsulfanyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 1-methyl-8-methylsulfanyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 1-methyl-8-methylsulfanyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 1-methyl-8-(methylthio)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 1-methyl-8-methylsulfanyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 1-methyl-8-(methylthio)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1C3=C(C=C(C=C3)SC)C(=NC2)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C2N1C3=C(C=C(C=C3)SC)C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C18H16N4S/c1-12-20-21-17-11-19-18(13-6-4-3-5-7-13)15-10-14(23-2)8-9-16(15)22(12)17/h3-10H,11H2,1-2H3