4-[4-(4-ethoxyphenyl)sulfonyl-5-methyl-1,2,3-triazol-1-yl]benzoic acid

Systemtic Name: 4-[4-(4-ethoxyphenyl)sulfonyl-5-methyl-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 4-[4-(4-ethoxyphenyl)sulfonyl-5-methyl-triazol-1-yl]benzoic acid CAS Name: 4-[4-(4-ethoxyphenyl)sulfonyl-5-methyl-1-triazolyl]benzoic acid IUPAC Name: 4-[4-(4-ethoxyphenyl)sulfonyl-5-methyltriazol-1-yl]benzoic acid Traditional Name: 4-(5-methyl-4-p-phenetylsulfonyl-triazol-1-yl)benzoic acid Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C18H17N3O5S/c1-3-26-15-8-10-16(11-9-15)27(24,25)17-12(2)21(20-19-17)14-6-4-13(5-7-14)18(22)23/h4-11H,3H2,1-2H3,(H,22,23)