methyl 4-methyl-2-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[1-(m-tolyl)imidazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[1-(3-methylphenyl)-2-imidazolyl]thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[1-(m-tolyl)imidazol-2-yl]thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C

InChI

InChI=1S/C23H21N3O2S/c1-15-7-6-8-17(13-15)26-12-11-24-23(26)29-14-20-21(22(27)28-3)16(2)18-9-4-5-10-19(18)25-20/h4-13H,14H2,1-3H3