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

Systemtic Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H13BrN4OS MolecularWeight: 353.23752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N)C2=CC(=CC=C2)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H13BrN4OS/c1-2-6-18-12(9-4-3-5-10(14)7-9)16-17-13(18)20-8-11(15)19/h2-5,7H,1,6,8H2,(H2,15,19)