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

Systemtic Name: methyl 4-methyl-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(4-pentyl-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(4-amyl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

InChI

InChI=1S/C20H24N4O2S/c1-4-5-8-11-24-13-21-23-20(24)27-12-17-18(19(25)26-3)14(2)15-9-6-7-10-16(15)22-17/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3