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

Systemtic Name: methyl 5-[(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)methyl]furan-2-carboxylate CAS Name: 5-[[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)methyl]furan-2-carboxylate Traditional Name: 5-[[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C(=NN=C2SC)N

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C(=NN=C2SC)N

InChI

InChI=1S/C10H12N4O3S/c1-16-8(15)7-4-3-6(17-7)5-14-9(11)12-13-10(14)18-2/h3-4H,5H2,1-2H3,(H2,11,12)