(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methanone

Systemtic Name: (4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methanone Openeye Name: (4-bromo-3,5-dimethyl-pyrazol-1-yl)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methanone CAS Name: (4-bromo-3,5-dimethyl-1-pyrazolyl)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methanone IUPAC Name: (4-bromo-3,5-dimethylpyrazol-1-yl)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methanone Traditional Name: (4-bromo-3,5-dimethyl-pyrazol-1-yl)-[3-nitro-4-(p-tolylthio)phenyl]methanone Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3C(=C(C(=N3)C)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3C(=C(C(=N3)C)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrN3O3S/c1-11-4-7-15(8-5-11)27-17-9-6-14(10-16(17)23(25)26)19(24)22-13(3)18(20)12(2)21-22/h4-10H,1-3H3