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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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