(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-N-[3-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-[3-(methylthio)phenyl]acrylamide Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=CC(=CC=C2)SC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)SC)C

InChI

InChI=1S/C20H23N3OS/c1-5-9-23-14(2)10-16(15(23)3)11-17(13-21)20(24)22-18-7-6-8-19(12-18)25-4/h6-8,10-12H,5,9H2,1-4H3,(H,22,24)/b17-11+