methyl 5-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C12H15N3O3S/c1-7(2)10-13-12(15-14-10)19-6-8-4-5-9(18-8)11(16)17-3/h4-5,7H,6H2,1-3H3,(H,13,14,15)