5-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-thenoic acid Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=C(S3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C15H13N3O2S2/c19-14(20)12-7-6-11(22-12)9-21-15-16-13(17-18-15)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20)(H,16,17,18)