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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NNC(=N2)N

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NNC(=N2)N

InChI

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