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

Systemtic Name: [3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]-(2,4-dinitrophenyl)methanone Openeye Name: [3,5-dimethyl-4-(p-tolylsulfanyl)pyrazol-1-yl]-(2,4-dinitrophenyl)methanone CAS Name: [3,5-dimethyl-4-[(4-methylphenyl)thio]-1-pyrazolyl]-(2,4-dinitrophenyl)methanone IUPAC Name: [3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-(2,4-dinitrophenyl)methanone Traditional Name: [3,5-dimethyl-4-(p-tolylthio)pyrazol-1-yl]-(2,4-dinitrophenyl)methanone Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O5S/c1-11-4-7-15(8-5-11)29-18-12(2)20-21(13(18)3)19(24)16-9-6-14(22(25)26)10-17(16)23(27)28/h4-10H,1-3H3