(E)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]prop-2-enenitrile Traditional Name: (E)-2-besyl-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]acrylonitrile Formula: C18H12ClN3O2S MolecularWeight: 369.82478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(C=NN2)C3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(C=NN2)C3=CC(=CC=C3)Cl)/C#N

InChI

InChI=1S/C18H12ClN3O2S/c19-14-6-4-5-13(9-14)17-12-21-22-18(17)10-16(11-20)25(23,24)15-7-2-1-3-8-15/h1-10,12H,(H,21,22)/b16-10+