(Z)-2-(4-methylphenyl)sulfonyl-3-(3-naphthalen-2-yl-1-phenyl-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (Z)-2-(4-methylphenyl)sulfonyl-3-(3-naphthalen-2-yl-1-phenyl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (Z)-3-[3-(2-naphthyl)-1-phenyl-pyrazol-4-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (Z)-2-(4-methylphenyl)sulfonyl-3-[3-(2-naphthalenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (Z)-2-(4-methylphenyl)sulfonyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (Z)-3-[3-(2-naphthyl)-1-phenyl-pyrazol-4-yl]-2-tosyl-acrylonitrile Formula: C29H21N3O2S MolecularWeight: 475.56094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(N=C2C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C\C2=CN(N=C2C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C29H21N3O2S/c1-21-11-15-27(16-12-21)35(33,34)28(19-30)18-25-20-32(26-9-3-2-4-10-26)31-29(25)24-14-13-22-7-5-6-8-23(22)17-24/h2-18,20H,1H3/b28-18-