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

Systemtic Name: 5-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]-sulfanyl-methyl]furan-2-carboxylic acid Openeye Name: 5-[(5-benzyl-1H-1,2,4-triazol-3-yl)-sulfanyl-methyl]furan-2-carboxylic acid CAS Name: 5-[mercapto-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]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)-mercapto-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)C(C3=CC=C(O3)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)C(C3=CC=C(O3)C(=O)O)S

InChI

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