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

Systemtic Name: methyl 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=CN2C3CC3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=CN2C3CC3

InChI

InChI=1S/C12H13N3O3S/c1-17-11(16)10-5-4-9(18-10)6-19-12-14-13-7-15(12)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3