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

Systemtic Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-3-furoic acid Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(N2C3CC3)C4CC4)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(N2C3CC3)C4CC4)C(=O)O

InChI

InChI=1S/C15H17N3O3S/c1-8-12(14(19)20)6-11(21-8)7-22-15-17-16-13(9-2-3-9)18(15)10-4-5-10/h6,9-10H,2-5,7H2,1H3,(H,19,20)