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

Systemtic Name: propan-2-yl 5-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: isopropyl 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid isopropyl ester Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(O1)CSC2=NNC(=N2)N

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(O1)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H14N4O3S/c1-6(2)17-9(16)8-4-3-7(18-8)5-19-11-13-10(12)14-15-11/h3-4,6H,5H2,1-2H3,(H3,12,13,14,15)