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

Systemtic Name: 3-[3-(3-chloranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[3-(3-chloro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[3-(3-chloro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-besyl-3-[3-(3-chloro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C25H18ClN3O3S MolecularWeight: 475.94672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H18ClN3O3S/c1-32-24-13-12-18(15-23(24)26)25-19(17-29(28-25)20-8-4-2-5-9-20)14-22(16-27)33(30,31)21-10-6-3-7-11-21/h2-15,17H,1H3