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

Systemtic Name: 1,3,5-trimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-4-carboxamide Openeye Name: 1,3,5-trimethyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-4-carboxamide CAS Name: 1,3,5-trimethyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-4-pyrazolecarboxamide IUPAC Name: 1,3,5-trimethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-4-carboxamide Traditional Name: 1,3,5-trimethyl-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-4-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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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=C(N(N=C3C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-12-5-7-17(8-6-12)28-18-10-15(9-16(11-18)24(26)27)21-20(25)19-13(2)22-23(4)14(19)3/h5-11H,1-4H3,(H,21,25)