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

Systemtic Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)propanamide Openeye Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)propanamide CAS Name: 3-[[5-(1-benzotriazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)propanamide IUPAC Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)propanamide Traditional Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)propionamide Formula: C23H18BrN7OS MolecularWeight: 520.40432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC(=CC=C3)Br)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC(=CC=C3)Br)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H18BrN7OS/c24-16-7-6-8-17(15-16)25-21(32)13-14-33-23-28-27-22(30(23)18-9-2-1-3-10-18)31-20-12-5-4-11-19(20)26-29-31/h1-12,15H,13-14H2,(H,25,32)