3-(4-oxidanylidenecinnolin-1-yl)-N-[2-(phenylmethylsulfanyl)ethyl]propanamide

Systemtic Name: 3-(4-oxidanylidenecinnolin-1-yl)-N-[2-(phenylmethylsulfanyl)ethyl]propanamide Openeye Name: N-(2-benzylsulfanylethyl)-3-(4-oxocinnolin-1-yl)propanamide CAS Name: 3-(4-oxo-1-cinnolinyl)-N-[2-(phenylmethylthio)ethyl]propanamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-(4-oxocinnolin-1-yl)propanamide Traditional Name: N-[2-(benzylthio)ethyl]-3-(4-ketocinnolin-1-yl)propionamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C20H21N3O2S/c24-19-14-22-23(18-9-5-4-8-17(18)19)12-10-20(25)21-11-13-26-15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,21,25)