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

Systemtic Name: 4-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]butyronitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCCCC#N

InChI

InChI=1S/C21H21N3OS/c22-14-6-7-16-26-21-23-19-13-5-4-12-18(19)20(25)24(21)15-8-11-17-9-2-1-3-10-17/h1-5,9-10,12-13H,6-8,11,15-16H2