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

Systemtic Name: cyclohexyl-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: cyclohexyl-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone CAS Name: cyclohexyl-[3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]methanone IUPAC Name: cyclohexyl-[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: cyclohexyl-[3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]methanone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2CCCCC2)C)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2CCCCC2)C)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-12-17(25-16-11-7-6-10-15(16)21(23)24)13(2)20(19-12)18(22)14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9H2,1-2H3