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

Systemtic Name: 4-[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(2-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(2-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[(4-keto-3-o-phenetyl-quinazolin-2-yl)thio]butyronitrile Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

InChI

InChI=1S/C20H19N3O2S/c1-2-25-18-12-6-5-11-17(18)23-19(24)15-9-3-4-10-16(15)22-20(23)26-14-8-7-13-21/h3-6,9-12H,2,7-8,14H2,1H3