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

Systemtic Name: ethyl 6-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3C)C

InChI

InChI=1S/C18H18N4O2S/c1-4-24-17(23)14-9-10-16(19-11-14)25-18-21-20-13(3)22(18)15-8-6-5-7-12(15)2/h5-11H,4H2,1-3H3