(Z)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (Z)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (Z)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (Z)-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (Z)-2-mesyl-3-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]acrylonitrile Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)/C=C(/C#N)\S(=O)(=O)C

InChI

InChI=1S/C14H13N3O3S/c1-20-12-5-3-10(4-6-12)14-11(9-16-17-14)7-13(8-15)21(2,18)19/h3-7,9H,1-2H3,(H,16,17)/b13-7-