(E)-2-tert-butylsulfonyl-3-(4-chloranyl-1-methyl-pyrazol-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-tert-butylsulfonyl-3-(4-chloranyl-1-methyl-pyrazol-3-yl)prop-2-enenitrile Openeye Name: (E)-2-tert-butylsulfonyl-3-(4-chloro-1-methyl-pyrazol-3-yl)prop-2-enenitrile CAS Name: (E)-2-tert-butylsulfonyl-3-(4-chloro-1-methyl-3-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-tert-butylsulfonyl-3-(4-chloro-1-methylpyrazol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-tert-butylsulfonyl-3-(4-chloro-1-methyl-pyrazol-3-yl)acrylonitrile Formula: C11H14ClN3O2S MolecularWeight: 287.76576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C(=CC1=NN(C=C1Cl)C)C#N

Isomeric SMILES

CC(C)(C)S(=O)(=O)/C(=C/C1=NN(C=C1Cl)C)/C#N

InChI

InChI=1S/C11H14ClN3O2S/c1-11(2,3)18(16,17)8(6-13)5-10-9(12)7-15(4)14-10/h5,7H,1-4H3/b8-5+