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

Systemtic Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide Openeye Name: 2-[[4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide CAS Name: 2-[[5-[2-(4-methylphenyl)-4-quinolinyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide Traditional Name: 2-[[4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]-2-phenyl-acetamide Formula: C29H25N5OS MolecularWeight: 491.6067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)SC(C5=CC=CC=C5)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)SC(C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C29H25N5OS/c1-3-17-34-28(32-33-29(34)36-26(27(30)35)21-9-5-4-6-10-21)23-18-25(20-15-13-19(2)14-16-20)31-24-12-8-7-11-22(23)24/h3-16,18,26H,1,17H2,2H3,(H2,30,35)