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

Systemtic Name: ethyl 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=CC=C4)C5CC5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=CC=C4)C5CC5)C

InChI

InChI=1S/C25H24N4O2S/c1-3-31-24(30)22-16(2)19-11-7-8-12-20(19)26-21(22)15-32-25-28-27-23(17-13-14-17)29(25)18-9-5-4-6-10-18/h4-12,17H,3,13-15H2,1-2H3