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

Systemtic Name: (2,4-dichlorophenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: (2,4-dichlorophenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone CAS Name: (2,4-dichlorophenyl)-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]methanone IUPAC Name: (2,4-dichlorophenyl)-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: (2,4-dichlorophenyl)-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]methanone Formula: C18H13Cl2N3O3S MolecularWeight: 422.28512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Cl2N3O3S/c1-10-17(27-14-6-4-13(5-7-14)23(25)26)11(2)22(21-10)18(24)15-8-3-12(19)9-16(15)20/h3-9H,1-2H3