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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O3S/c1-23-15-9-7-13(8-10-15)16-19-18(21-20-16)25-11-12-3-5-14(6-4-12)17(22)24-2/h3-10H,11H2,1-2H3,(H,19,20,21)