1-(4-chlorophenyl)-2-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone CAS Name: 1-(4-chlorophenyl)-2-[[4-prop-2-enyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[(4-prop-2-enyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]thio]-1-(4-chlorophenyl)ethanone Formula: C22H17ClN4OS MolecularWeight: 420.91458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN4OS/c1-2-12-27-21(17-7-10-19-16(13-17)4-3-11-24-19)25-26-22(27)29-14-20(28)15-5-8-18(23)9-6-15/h2-11,13H,1,12,14H2