ethyl 6-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[4-phenyl-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[4-phenyl-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[4-phenyl-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C(C)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C(C)N4CCCCC4

InChI

InChI=1S/C23H27N5O2S/c1-3-30-22(29)18-12-13-20(24-16-18)31-23-26-25-21(17(2)27-14-8-5-9-15-27)28(23)19-10-6-4-7-11-19/h4,6-7,10-13,16-17H,3,5,8-9,14-15H2,1-2H3