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

Systemtic Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-besyl-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]acrylonitrile Formula: C18H12BrN3O2S MolecularWeight: 414.27578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C18H12BrN3O2S/c19-15-8-6-13(7-9-15)18-14(12-21-22-18)10-17(11-20)25(23,24)16-4-2-1-3-5-16/h1-10,12H,(H,21,22)/b17-10+