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

Systemtic Name: 3-[[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C24H19N3O3S MolecularWeight: 429.49096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O3S/c1-29-21-11-10-18(13-22(21)30-2)27-23(28)19-8-3-4-9-20(19)26-24(27)31-15-17-7-5-6-16(12-17)14-25/h3-13H,15H2,1-2H3