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

Systemtic Name: N-(4-bromophenyl)-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-(4-bromophenyl)acetamide CAS Name: N-(4-bromophenyl)-2-[[4-prop-2-enyl-5-(2-quinolinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-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-(4-bromophenyl)acetamide Formula: C22H18BrN5OS MolecularWeight: 480.38022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN5OS/c1-2-13-28-21(19-12-7-15-5-3-4-6-18(15)25-19)26-27-22(28)30-14-20(29)24-17-10-8-16(23)9-11-17/h2-12H,1,13-14H2,(H,24,29)