(E)-2-(4-methylphenyl)sulfonyl-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-methylphenyl)sulfonyl-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-2-(4-methylphenyl)sulfonyl-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-tosyl-acrylonitrile Formula: C24H19N3O2S2 MolecularWeight: 445.55656

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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)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C24H19N3O2S2/c1-18-9-11-21(12-10-18)31(28,29)22(15-25)14-20-17-27(16-19-6-3-2-4-7-19)26-24(20)23-8-5-13-30-23/h2-14,17H,16H2,1H3/b22-14+