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

Systemtic Name: 4-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylbutanenitrile CAS Name: 4-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(3-benzyl-4-keto-quinazolin-2-yl)thio]butyronitrile Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC#N

InChI

InChI=1S/C19H17N3OS/c20-12-6-7-13-24-19-21-17-11-5-4-10-16(17)18(23)22(19)14-15-8-2-1-3-9-15/h1-5,8-11H,6-7,13-14H2