3-[[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[3-(3-chloro-4-methoxy-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[3-(3-chloro-4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[3-(3-chloro-4-methoxy-phenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C23H16ClN3O2S MolecularWeight: 433.91004

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H16ClN3O2S/c1-29-21-10-9-17(12-19(21)24)27-22(28)18-7-2-3-8-20(18)26-23(27)30-14-16-6-4-5-15(11-16)13-25/h2-12H,14H2,1H3