1-(4-methylphenyl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methylphenyl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(5-allyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(5-allyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-1-(p-tolyl)ethanone Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2

InChI

InChI=1S/C21H18N4OS/c1-3-12-25-17-7-5-4-6-16(17)19-20(25)22-21(24-23-19)27-13-18(26)15-10-8-14(2)9-11-15/h3-11H,1,12-13H2,2H3