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

Systemtic Name: ethyl 6-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=NC=C(C=C2)C(=O)OCC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SC2=NC=C(C=C2)C(=O)OCC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4O2S/c1-3-23-16(12-5-8-14(19)9-6-12)21-22-18(23)26-15-10-7-13(11-20-15)17(24)25-4-2/h5-11H,3-4H2,1-2H3