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

Systemtic Name: 5-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furoic acid Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C15H13N3O3S/c19-14(20)12-7-6-11(21-12)9-22-15-16-13(17-18-15)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20)(H,16,17,18)