1,3-dimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-4-carboxamide

Systemtic Name: 1,3-dimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-4-carboxamide Openeye Name: 1,3-dimethyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-4-carboxamide CAS Name: 1,3-dimethyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-4-pyrazolecarboxamide IUPAC Name: 1,3-dimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-4-carboxamide Traditional Name: 1,3-dimethyl-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-4-carboxamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CN(N=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CN(N=C3C)C

InChI

InChI=1S/C19H18N4O3S/c1-12-4-6-16(7-5-12)27-17-9-14(8-15(10-17)23(25)26)20-19(24)18-11-22(3)21-13(18)2/h4-11H,1-3H3,(H,20,24)