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

Systemtic Name: 8-bromanyl-1-methyl-6-methylsulfanyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-bromo-1-methyl-6-methylsulfanyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-bromo-1-methyl-6-(methylthio)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-bromo-1-methyl-6-methylsulfanyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-bromo-1-methyl-6-(methylthio)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C12H11BrN4S MolecularWeight: 323.21154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)SC

Isomeric SMILES

CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)SC

InChI

InChI=1S/C12H11BrN4S/c1-7-15-16-11-6-14-12(18-2)9-5-8(13)3-4-10(9)17(7)11/h3-5H,6H2,1-2H3