[5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-phenylbenzoate

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-phenylbenzoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C29H21N3O4S MolecularWeight: 507.55974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H21N3O4S/c1-20-27(37-26-15-9-8-14-25(26)32(34)35)28(31(30-20)24-12-6-3-7-13-24)36-29(33)23-18-16-22(17-19-23)21-10-4-2-5-11-21/h2-19H,1H3