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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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