2-ethanimidoyl-4-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[(7-methoxy-4-phenyl-2-quinolinyl)thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-(7-methoxy-4-phenylquinolin-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[(7-methoxy-4-phenyl-2-quinolyl)thio]butyronitrile Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C=CC(=C2)OC)C(=C1)C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C=CC(=C2)OC)C(=C1)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O2S/c1-14(24)19(12-23)21(26)13-28-22-11-18(15-6-4-3-5-7-15)17-9-8-16(27-2)10-20(17)25-22/h3-11,19,24H,13H2,1-2H3