2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylpropylideneamino)ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylpropylideneamino)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylpropylideneamino)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylpropylideneamino)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylpropylideneamino)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylpropylideneamino)acetamide Formula: C20H20BrN5OS MolecularWeight: 458.3747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCC(=NNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H20BrN5OS/c1-3-17(14-7-5-4-6-8-14)22-23-18(27)13-28-20-25-24-19(26(20)2)15-9-11-16(21)12-10-15/h4-12H,3,13H2,1-2H3,(H,23,27)