(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-mesyl-acrylonitrile Formula: C14H12ClN3O2S MolecularWeight: 321.78198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)S(=O)(=O)C)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/S(=O)(=O)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C14H12ClN3O2S/c1-10-13(8-12(9-16)21(2,19)20)14(15)18(17-10)11-6-4-3-5-7-11/h3-8H,1-2H3/b12-8+