(E)-3-[4-[(E)-2-cyanoethenyl]-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[4-[(E)-2-cyanoethenyl]-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]prop-2-enenitrile Openeye Name: (E)-3-[4-[(E)-2-cyanovinyl]-1-(p-tolylsulfonyl)pyrrol-3-yl]prop-2-enenitrile CAS Name: (E)-3-[4-[(E)-2-cyanoethenyl]-1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-2-propenenitrile IUPAC Name: (E)-3-[4-[(E)-2-cyanoethenyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]prop-2-enenitrile Traditional Name: (E)-3-[4-[(E)-2-cyanovinyl]-1-tosyl-pyrrol-3-yl]acrylonitrile Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C=CC#N)C=CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)/C=C/C#N)/C=C/C#N

InChI

InChI=1S/C17H13N3O2S/c1-14-6-8-17(9-7-14)23(21,22)20-12-15(4-2-10-18)16(13-20)5-3-11-19/h2-9,12-13H,1H3/b4-2+,5-3+