(E)-2-(4-methylphenyl)sulfonyl-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-methylphenyl)sulfonyl-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-2-(4-methylphenyl)sulfonyl-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(4-methylphenyl)sulfonyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-2-tosyl-acrylonitrile Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C23H17N3O2S2/c1-17-9-11-20(12-10-17)30(27,28)21(15-24)14-18-16-26(19-6-3-2-4-7-19)25-23(18)22-8-5-13-29-22/h2-14,16H,1H3/b21-14+