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

Systemtic Name: (2-chlorophenyl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: (2-chlorophenyl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone CAS Name: (2-chlorophenyl)-[3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]methanone IUPAC Name: (2-chlorophenyl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: (2-chlorophenyl)-[3,5-dimethyl-4-[(2-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=CC=C2Cl)C)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=CC=C2Cl)C)SC3=CC=CC=C3[N+](=O)[O-]

InChI

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