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

Systemtic Name: N-phenyl-2-[(4-prop-2-enyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-phenyl-2-[[4-prop-2-enyl-5-(2-quinolinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-phenyl-2-[(4-prop-2-enyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19N5OS/c1-2-14-27-21(19-13-12-16-8-6-7-11-18(16)24-19)25-26-22(27)29-15-20(28)23-17-9-4-3-5-10-17/h2-13H,1,14-15H2,(H,23,28)