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

Systemtic Name: 5-[(4-azanyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-amino-5-phenethyl-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:

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCC3=CC=C(O3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C16H16N4O3S/c17-20-14(9-6-11-4-2-1-3-5-11)18-19-16(20)24-10-12-7-8-13(23-12)15(21)22/h1-5,7-8H,6,9-10,17H2,(H,21,22)