(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[2-(p-tolylsulfanyl)ethyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-N-[2-[(4-methylphenyl)thio]ethyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[2-(p-tolylthio)ethyl]acrylamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C(=CC2=C(N(C(=C2)C)C3CC3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)/C(=C/C2=C(N(C(=C2)C)C3CC3)C)/C#N

InChI

InChI=1S/C22H25N3OS/c1-15-4-8-21(9-5-15)27-11-10-24-22(26)19(14-23)13-18-12-16(2)25(17(18)3)20-6-7-20/h4-5,8-9,12-13,20H,6-7,10-11H2,1-3H3,(H,24,26)/b19-13+