2-[[3-(2-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[3-(2-methylphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[3-(o-tolyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetonitrile IUPAC Name: 2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-keto-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetonitrile Formula: C19H14N4OS MolecularWeight: 346.40566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC#N

InChI

InChI=1S/C19H14N4OS/c1-12-6-2-5-9-15(12)23-18(24)17-16(22-19(23)25-11-10-20)13-7-3-4-8-14(13)21-17/h2-9,21H,11H2,1H3