2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[[4-phenyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[2-(4-methylphenyl)-4-quinolinyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[[4-phenyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C29H27N5OS MolecularWeight: 493.62258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)NC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)NC(C)C

InChI

InChI=1S/C29H27N5OS/c1-19(2)30-27(35)18-36-29-33-32-28(34(29)22-9-5-4-6-10-22)24-17-26(21-15-13-20(3)14-16-21)31-25-12-8-7-11-23(24)25/h4-17,19H,18H2,1-3H3,(H,30,35)