2-[[4-azanyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[4-amino-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-amino-5-[2-(4-methylphenyl)-4-quinolinyl]-1,2,4-triazol-3-yl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[[4-amino-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[4-amino-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H22N6OS MolecularWeight: 430.52538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4N)SCC(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4N)SCC(=O)NCC=C

InChI

InChI=1S/C23H22N6OS/c1-3-12-25-21(30)14-31-23-28-27-22(29(23)24)18-13-20(16-10-8-15(2)9-11-16)26-19-7-5-4-6-17(18)19/h3-11,13H,1,12,14,24H2,2H3,(H,25,30)