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

Systemtic Name: 5-[[4-azanyl-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-amino-5-(p-tolylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-amino-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-amino-5-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-amino-5-(4-methylbenzyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furoic acid Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C16H16N4O3S/c1-10-2-4-11(5-3-10)8-14-18-19-16(20(14)17)24-9-12-6-7-13(23-12)15(21)22/h2-7H,8-9,17H2,1H3,(H,21,22)