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

Systemtic Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[[5-(1-benzotriazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[[5-(benzotriazol-1-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)propionamide Formula: C23H18N8O3S MolecularWeight: 486.50582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H18N8O3S/c32-21(24-16-10-12-18(13-11-16)31(33)34)14-15-35-23-27-26-22(29(23)17-6-2-1-3-7-17)30-20-9-5-4-8-19(20)25-28-30/h1-13H,14-15H2,(H,24,32)