6-methylsulfanyl-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 6-methylsulfanyl-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 6-methylsulfanyl-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 6-(methylthio)-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 6-methylsulfanyl-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 6-(methylthio)-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C14H16N4S MolecularWeight: 272.36864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C2N1C3=CC=CC=C3C(=NC2)SC

Isomeric SMILES

CCCC1=NN=C2N1C3=CC=CC=C3C(=NC2)SC

InChI

InChI=1S/C14H16N4S/c1-3-6-12-16-17-13-9-15-14(19-2)10-7-4-5-8-11(10)18(12)13/h4-5,7-8H,3,6,9H2,1-2H3