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

Systemtic Name: ethyl 6-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC2=NC=C(C=C2)C(=O)OCC)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SC2=NC=C(C=C2)C(=O)OCC)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H22N4O2S/c1-4-11-24-18(15-8-6-7-14(3)12-15)22-23-20(24)27-17-10-9-16(13-21-17)19(25)26-5-2/h6-10,12-13H,4-5,11H2,1-3H3