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

Systemtic Name: methyl 3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(5-cyclopropyl-1H-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=C(C=CO1)CSC2=NNC(=N2)C3CC3

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NNC(=N2)C3CC3

InChI

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