ethyl 2-[[5-(2-benzamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-(2-benzamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(2-benzamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-benzamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-benzamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-benzamidophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S/c1-2-32-22(30)17-33-25-28-27-23(29(25)19-13-7-4-8-14-19)20-15-9-10-16-21(20)26-24(31)18-11-5-3-6-12-18/h3-16H,2,17H2,1H3,(H,26,31)