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

Systemtic Name: ethyl 6-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H22N4O2S2/c1-2-29-22(28)18-10-11-21(24-16-18)31-23-26-25-20(15-19-9-6-14-30-19)27(23)13-12-17-7-4-3-5-8-17/h3-11,14,16H,2,12-13,15H2,1H3