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

Systemtic Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide Openeye Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide CAS Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide IUPAC Name: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide Traditional Name: N-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN4OS/c18-13-6-8-14(9-7-13)22-15(20-21-17(22)24)11-19-16(23)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H,21,24)