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

Systemtic Name: 5-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]methyl]-2-furoic acid Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C15H14N4O3S/c16-19-13(8-10-4-2-1-3-5-10)17-18-15(19)23-9-11-6-7-12(22-11)14(20)21/h1-7H,8-9,16H2,(H,20,21)