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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] benzoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] benzoate CAS Name: benzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] benzoate Traditional Name: benzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3O4S/c1-16-21(31-20-15-9-8-14-19(20)26(28)29)22(25(24-16)18-12-6-3-7-13-18)30-23(27)17-10-4-2-5-11-17/h2-15H,1H3