N-phenyl-2-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-phenyl-2-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-phenyl-2-[[4-prop-2-enyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-phenyl-2-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(6-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=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)N=CC=C4

InChI

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