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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CSC2=NN=CN2C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CSC2=NN=CN2C(C)C)C(=O)OC

InChI

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