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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC2=C(C=CO2)C(=O)OC

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=C(C=CO2)C(=O)OC

InChI

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