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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(OC=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(OC=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C15H13N3O3S/c1-18-13(10-5-3-2-4-6-10)16-17-15(18)22-9-11-7-8-21-12(11)14(19)20/h2-8H,9H2,1H3,(H,19,20)