4-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

InChI

InChI=1S/C20H18ClN3O2S/c1-13-11-17(18(26-2)12-15(13)21)24-19(25)14-7-3-4-8-16(14)23-20(24)27-10-6-5-9-22/h3-4,7-8,11-12H,5-6,10H2,1-2H3