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

Systemtic Name: methyl 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C4CC4)N5CCOCC5)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(N3C4CC4)N5CCOCC5)C(=O)OC

InChI

InChI=1S/C22H25N5O3S/c1-14-16-5-3-4-6-17(16)23-18(19(14)20(28)29-2)13-31-22-25-24-21(27(22)15-7-8-15)26-9-11-30-12-10-26/h3-6,15H,7-13H2,1-2H3