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

Systemtic Name: methyl 4-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 4-phenyl-2-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-15(2)27-14-24-26-23(27)30-13-19-21(22(28)29-3)20(16-9-5-4-6-10-16)17-11-7-8-12-18(17)25-19/h4-12,14-15H,13H2,1-3H3