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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-furoic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=C(C=CO4)C(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=C(C=CO4)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c18-13(19)10-5-6-20-11(10)7-21-14-16-15-12(8-1-2-8)17(14)9-3-4-9/h5-6,8-9H,1-4,7H2,(H,18,19)