4-[[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C23H17N3O2S MolecularWeight: 399.46498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H17N3O2S/c1-28-19-12-10-18(11-13-19)26-22(27)20-4-2-3-5-21(20)25-23(26)29-15-17-8-6-16(14-24)7-9-17/h2-13H,15H2,1H3