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

Systemtic Name: 4-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N)OC

InChI

InChI=1S/C20H19N3O3S/c1-25-17-10-9-14(13-18(17)26-2)23-19(24)15-7-3-4-8-16(15)22-20(23)27-12-6-5-11-21/h3-4,7-10,13H,5-6,12H2,1-2H3