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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=C(O2)C(=O)OC)N

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=C(O2)C(=O)OC)N

InChI

InChI=1S/C11H14N4O3S/c1-3-19-11-14-13-10(12)15(11)6-7-4-5-8(18-7)9(16)17-2/h4-5H,3,6H2,1-2H3,(H2,12,13)