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

Systemtic Name: methyl 4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NNC(=N3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NNC(=N3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H18N4O2S/c1-13-15-10-6-7-11-16(15)22-17(18(13)20(26)27-2)12-28-21-23-19(24-25-21)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,23,24,25)