N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide CAS Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide IUPAC Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide Traditional Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide Formula: C17H15BrN4O2S MolecularWeight: 419.2956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN4O2S/c18-12-6-8-13(9-7-12)22-15(20-21-17(22)25)10-19-16(23)11-24-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,19,23)(H,21,25)