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

Systemtic Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 3-[[5-(1-benzotriazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C23H19N7OS MolecularWeight: 441.50826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H19N7OS/c31-21(24-17-9-3-1-4-10-17)15-16-32-23-27-26-22(29(23)18-11-5-2-6-12-18)30-20-14-8-7-13-19(20)25-28-30/h1-14H,15-16H2,(H,24,31)