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

Systemtic Name: (4-chlorophenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: (4-chlorophenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone CAS Name: (4-chlorophenyl)-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]methanone IUPAC Name: (4-chlorophenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: (4-chlorophenyl)-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]methanone Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O3S/c1-11-17(26-16-9-7-15(8-10-16)22(24)25)12(2)21(20-11)18(23)13-3-5-14(19)6-4-13/h3-10H,1-2H3