2-cyano-3-(1-methylpyrrol-2-yl)-N-(4-methylsulfanylphenyl)-3-oxidanylidene-propanamide

Systemtic Name: 2-cyano-3-(1-methylpyrrol-2-yl)-N-(4-methylsulfanylphenyl)-3-oxidanylidene-propanamide Openeye Name: 2-cyano-3-(1-methylpyrrol-2-yl)-N-(4-methylsulfanylphenyl)-3-oxo-propanamide CAS Name: 2-cyano-3-(1-methyl-2-pyrrolyl)-N-[4-(methylthio)phenyl]-3-oxopropanamide IUPAC Name: 2-cyano-3-(1-methylpyrrol-2-yl)-N-(4-methylsulfanylphenyl)-3-oxopropanamide Traditional Name: 2-cyano-3-keto-3-(1-methylpyrrol-2-yl)-N-[4-(methylthio)phenyl]propionamide Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)C(C#N)C(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CN1C=CC=C1C(=O)C(C#N)C(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H15N3O2S/c1-19-9-3-4-14(19)15(20)13(10-17)16(21)18-11-5-7-12(22-2)8-6-11/h3-9,13H,1-2H3,(H,18,21)