2-(4-chlorophenyl)sulfonyl-3-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: 2-(4-chlorophenyl)sulfonyl-3-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(4-isopentyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(4-chlorophenyl)sulfonyl-3-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(4-chlorophenyl)sulfonyl-3-[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-(4-chlorophenyl)sulfonyl-3-[3-(4-isoamoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C30H28ClN3O3S MolecularWeight: 546.07962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)OCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)OCCC(C)C

InChI

InChI=1S/C30H28ClN3O3S/c1-21(2)15-16-37-29-14-9-23(17-22(29)3)30-24(20-34(33-30)26-7-5-4-6-8-26)18-28(19-32)38(35,36)27-12-10-25(31)11-13-27/h4-14,17-18,20-21H,15-16H2,1-3H3