4-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylbutanenitrile

Systemtic Name: 4-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylbutanenitrile Openeye Name: 4-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]butanenitrile CAS Name: 4-[(7-methoxy-4-phenyl-2-quinolinyl)thio]butanenitrile IUPAC Name: 4-(7-methoxy-4-phenylquinolin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(7-methoxy-4-phenyl-2-quinolyl)thio]butyronitrile Formula: C20H18N2OS MolecularWeight: 334.43472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCCCC#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2OS/c1-23-16-9-10-17-18(15-7-3-2-4-8-15)14-20(22-19(17)13-16)24-12-6-5-11-21/h2-4,7-10,13-14H,5-6,12H2,1H3