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

Systemtic Name: 2-[[3-(2-methoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetonitrile IUPAC Name: 2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-keto-3-(2-methoxyphenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetonitrile Formula: C19H14N4O2S MolecularWeight: 362.40506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC#N

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC#N

InChI

InChI=1S/C19H14N4O2S/c1-25-15-9-5-4-8-14(15)23-18(24)17-16(22-19(23)26-11-10-20)12-6-2-3-7-13(12)21-17/h2-9,21H,11H2,1H3