(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(4-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(4-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(4-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-3-pyrrolyl)-N-[4-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(4-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[4-(methylthio)phenyl]acrylamide Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(C#N)C(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H16N4OS/c1-12-13(9-16(11-20)22(12)2)8-14(10-19)18(23)21-15-4-6-17(24-3)7-5-15/h4-9H,1-3H3,(H,21,23)/b14-8+