N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-nitrophenoxy)methyl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-nitrophenoxy)methyl]-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-3-carboxamide Formula: C24H19N5O6S MolecularWeight: 505.50256

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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=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H19N5O6S/c1-16-6-8-19(9-7-16)36-20-13-17(12-18(14-20)28(31)32)25-24(30)21-10-11-27(26-21)15-35-23-5-3-2-4-22(23)29(33)34/h2-14H,15H2,1H3,(H,25,30)