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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-bromanylbenzoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic 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-bromobenzoate Traditional Name: 4-bromobenzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C23H16BrN3O4S MolecularWeight: 510.35984

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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)Br)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H16BrN3O4S/c1-15-21(32-20-10-6-5-9-19(20)27(29)30)22(26(25-15)18-7-3-2-4-8-18)31-23(28)16-11-13-17(24)14-12-16/h2-14H,1H3