3-[[4-methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[4-methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-methyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-methyl-5-[2-(4-methylphenyl)-4-quinolinyl]-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-methyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C)SCCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C)SCCC(=O)N

InChI

InChI=1S/C22H21N5OS/c1-14-7-9-15(10-8-14)19-13-17(16-5-3-4-6-18(16)24-19)21-25-26-22(27(21)2)29-12-11-20(23)28/h3-10,13H,11-12H2,1-2H3,(H2,23,28)