2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-23-15-9-7-13(8-10-15)16-19-18(21-20-16)25-12-11-24-17(22)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,20,21)