methyl 2-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(1-cyclopropyl-5-phenyl-imidazol-2-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=C(N3C4CC4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=C(N3C4CC4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C25H23N3O2S/c1-16-19-10-6-7-11-20(19)27-21(23(16)24(29)30-2)15-31-25-26-14-22(28(25)18-12-13-18)17-8-4-3-5-9-17/h3-11,14,18H,12-13,15H2,1-2H3