ethyl 6-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C15H14N4O2S2 MolecularWeight: 346.42726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C15H14N4O2S2/c1-2-21-14(20)10-5-6-13(16-9-10)23-15-17-12(18-19-15)8-11-4-3-7-22-11/h3-7,9H,2,8H2,1H3,(H,17,18,19)