methyl 4-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)C4=CC=NC=C4

InChI

InChI=1S/C23H23N5O2S/c1-4-13-28-21(16-9-11-24-12-10-16)26-27-23(28)31-14-19-20(22(29)30-3)15(2)17-7-5-6-8-18(17)25-19/h5-12H,4,13-14H2,1-3H3