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

Systemtic Name: ethyl 6-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N4O3S/c1-5-27-19(25)15-8-11-17(21-12-15)28-20-23-22-18(24(20)13(2)3)14-6-9-16(26-4)10-7-14/h6-13H,5H2,1-4H3