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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-cyanophenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-cyanophenyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-cyanophenyl)acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-cyanophenyl)acetamide Traditional Name: 2-[[4-allyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-cyanophenyl)acetamide Formula: C20H16BrN5OS MolecularWeight: 454.34294

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C#N)C3=CC=CC=C3Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C#N)C3=CC=CC=C3Br

InChI

InChI=1S/C20H16BrN5OS/c1-2-11-26-19(16-5-3-4-6-17(16)21)24-25-20(26)28-13-18(27)23-15-9-7-14(12-22)8-10-15/h2-10H,1,11,13H2,(H,23,27)