3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-propanamide

Systemtic Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-propanamide Openeye Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)propanamide CAS Name: 3-[[5-(1-benzotriazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)propanamide IUPAC Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylpropanamide Traditional Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridyl)propionamide Formula: C22H18N8OS MolecularWeight: 442.49632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC=CC=N3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC=CC=N3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H18N8OS/c31-20(24-19-12-6-7-14-23-19)13-15-32-22-27-26-21(29(22)16-8-2-1-3-9-16)30-18-11-5-4-10-17(18)25-28-30/h1-12,14H,13,15H2,(H,23,24,31)