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

Systemtic Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-(4-methylphenyl)methanone Openeye Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]-(p-tolyl)methanone CAS Name: [3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]-(4-methylphenyl)methanone IUPAC Name: [3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]-(4-methylphenyl)methanone Traditional Name: [3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]-(p-tolyl)methanone Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(=C(C(=N2)C)SC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(=C(C(=N2)C)SC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C19H17N3O3S/c1-12-8-10-15(11-9-12)19(23)21-14(3)18(13(2)20-21)26-17-7-5-4-6-16(17)22(24)25/h4-11H,1-3H3