(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3-nitrobenzoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3-nitrobenzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)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)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

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

InChI

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