2-(4-chlorophenyl)-1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]ethanone

Systemtic Name: 2-(4-chlorophenyl)-1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]ethanone Openeye Name: 2-(4-chlorophenyl)-1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]ethanone CAS Name: 2-(4-chlorophenyl)-1-[3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]ethanone IUPAC Name: 2-(4-chlorophenyl)-1-[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]ethanone Traditional Name: 2-(4-chlorophenyl)-1-[3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]ethanone Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CC2=CC=C(C=C2)Cl)C)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)CC2=CC=C(C=C2)Cl)C)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN3O3S/c1-12-19(27-17-6-4-3-5-16(17)23(25)26)13(2)22(21-12)18(24)11-14-7-9-15(20)10-8-14/h3-10H,11H2,1-2H3