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

Systemtic Name: 1-methyl-8-methylsulfanyl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 1-methyl-8-methylsulfanyl-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 1-methyl-8-(methylthio)-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 1-methyl-8-methylsulfanyl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 1-methyl-8-(methylthio)-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1C3=C(C=C(C=C3)SC)C(=NC2)C4=CC=CC=N4

Isomeric SMILES

CC1=NN=C2N1C3=C(C=C(C=C3)SC)C(=NC2)C4=CC=CC=N4

InChI

InChI=1S/C17H15N5S/c1-11-20-21-16-10-19-17(14-5-3-4-8-18-14)13-9-12(23-2)6-7-15(13)22(11)16/h3-9H,10H2,1-2H3