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

Systemtic Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: 2-[[4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide CAS Name: 2-[[5-[2-(4-methylphenyl)-4-quinolinyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: 2-[[5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: 2-[[4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]-N-propyl-propionamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1CC=C)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C

Isomeric SMILES

CCCNC(=O)C(C)SC1=NN=C(N1CC=C)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H29N5OS/c1-5-15-28-26(33)19(4)34-27-31-30-25(32(27)16-6-2)22-17-24(20-13-11-18(3)12-14-20)29-23-10-8-7-9-21(22)23/h6-14,17,19H,2,5,15-16H2,1,3-4H3,(H,28,33)