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

Systemtic Name: methyl 2-methyl-5-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: methyl 5-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 5-[[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NNC(=N2)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NNC(=N2)C(C)C)C(=O)OC

InChI

InChI=1S/C13H17N3O3S/c1-7(2)11-14-13(16-15-11)20-6-9-5-10(8(3)19-9)12(17)18-4/h5,7H,6H2,1-4H3,(H,14,15,16)