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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-1-[(4-phenylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Formula: C30H24N4O4S MolecularWeight: 536.60096

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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=NN(C=C3)COC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H24N4O4S/c1-21-7-13-27(14-8-21)39-28-18-24(17-25(19-28)34(36)37)31-30(35)29-15-16-33(32-29)20-38-26-11-9-23(10-12-26)22-5-3-2-4-6-22/h2-19H,20H2,1H3,(H,31,35)