ethyl 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: ethyl 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid ethyl ester Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O4S/c1-2-32-23(29)19-10-8-17(9-11-19)16-33-24-26-25-22(27(24)20-6-4-3-5-7-20)18-12-14-21(15-13-18)28(30)31/h3-15H,2,16H2,1H3