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

Systemtic Name: methyl 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(2-methoxyphenyl)-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=CC=C1N2C=NN=C2SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2C=NN=C2SCC3=CC=C(C=C3)C(=O)OC

InChI

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