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

Systemtic Name: 1-phenyl-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-phenyl-5-(phenylsulfanylmethyl)triazole-4-carboxylic acid CAS Name: 1-phenyl-5-[(phenylthio)methyl]-4-triazolecarboxylic acid IUPAC Name: 1-phenyl-5-(phenylsulfanylmethyl)triazole-4-carboxylic acid Traditional Name: 1-phenyl-5-[(phenylthio)methyl]triazole-4-carboxylic acid Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2S/c20-16(21)15-14(11-22-13-9-5-2-6-10-13)19(18-17-15)12-7-3-1-4-8-12/h1-10H,11H2,(H,20,21)