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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

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