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

Systemtic Name: methyl 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O3S/c1-15-7(14)6-5(2-3-16-6)4-17-9-11-8(10)12-13-9/h2-3H,4H2,1H3,(H3,10,11,12,13)