3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[3-(4-isopentyloxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[3-[4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-besyl-3-[3-(4-isoamoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H27N3O3S/c1-22(2)17-18-35-26-15-13-23(14-16-26)29-24(21-32(31-29)25-9-5-3-6-10-25)19-28(20-30)36(33,34)27-11-7-4-8-12-27/h3-16,19,21-22H,17-18H2,1-2H3