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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C29H22N4O3S MolecularWeight: 506.57498

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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=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H22N4O3S/c1-20-12-14-25(15-13-20)37-26-17-22(16-24(18-26)33(35)36)30-29(34)27-19-32(23-10-6-3-7-11-23)31-28(27)21-8-4-2-5-9-21/h2-19H,1H3,(H,30,34)