1-(4-methylphenyl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methylphenyl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(8-methyl-5H-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-1-(p-tolyl)ethanone Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C4=C(N3)C=CC(=C4)C)N=N2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C4=C(N3)C=CC(=C4)C)N=N2

InChI

InChI=1S/C19H16N4OS/c1-11-3-6-13(7-4-11)16(24)10-25-19-21-18-17(22-23-19)14-9-12(2)5-8-15(14)20-18/h3-9H,10H2,1-2H3,(H,20,21,23)