1-(4-ethoxyphenyl)-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-ethoxyphenyl)-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-ethoxyphenyl)-5-(phenylsulfanylmethyl)triazole-4-carboxylic acid CAS Name: 1-(4-ethoxyphenyl)-5-[(phenylthio)methyl]-4-triazolecarboxylic acid IUPAC Name: 1-(4-ethoxyphenyl)-5-(phenylsulfanylmethyl)triazole-4-carboxylic acid Traditional Name: 5-[(phenylthio)methyl]-1-p-phenetyl-triazole-4-carboxylic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)CSC3=CC=CC=C3

InChI

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