N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-oxo-1H-quinoline-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-oxo-1H-quinoline-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-keto-1H-quinoline-3-carboxamide Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)N2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)N2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H17N3O2S/c21-12-15-6-1-2-7-16(15)13-26-10-9-22-19(24)17-11-14-5-3-4-8-18(14)23-20(17)25/h1-8,11H,9-10,13H2,(H,22,24)(H,23,25)