(E)-2-methylsulfonyl-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-methylsulfonyl-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-methylsulfonyl-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-methylsulfonyl-3-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-methylsulfonyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-mesyl-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]acrylonitrile Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC1=CN(N=C1C2=CC=NC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CS(=O)(=O)/C(=C/C1=CN(N=C1C2=CC=NC=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C18H14N4O2S/c1-25(23,24)17(12-19)11-15-13-22(16-5-3-2-4-6-16)21-18(15)14-7-9-20-10-8-14/h2-11,13H,1H3/b17-11+