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

Systemtic Name: ethyl 6-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H24N4O3S/c1-3-32-24(30)19-13-14-22(26-17-19)33-25-28-27-23(20-11-7-8-12-21(20)31-2)29(25)16-15-18-9-5-4-6-10-18/h4-14,17H,3,15-16H2,1-2H3