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

Systemtic Name: N-ethyl-2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-acetamide CAS Name: N-ethyl-2-[[5-[2-(4-methylphenyl)-4-quinolinyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-ethyl-2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]-N-ethyl-acetamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=NN=C(N1CC=C)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C

Isomeric SMILES

CCNC(=O)CSC1=NN=C(N1CC=C)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H25N5OS/c1-4-14-30-24(28-29-25(30)32-16-23(31)26-5-2)20-15-22(18-12-10-17(3)11-13-18)27-21-9-7-6-8-19(20)21/h4,6-13,15H,1,5,14,16H2,2-3H3,(H,26,31)