3-[3-tert-butyl-4-oxidanyl-5-(5-phenylsulfanylbenzotriazol-2-yl)phenyl]propanamide

Systemtic Name: 3-[3-tert-butyl-4-oxidanyl-5-(5-phenylsulfanylbenzotriazol-2-yl)phenyl]propanamide Openeye Name: 3-[3-tert-butyl-4-hydroxy-5-(5-phenylsulfanylbenzotriazol-2-yl)phenyl]propanamide CAS Name: 3-[3-tert-butyl-4-hydroxy-5-[5-(phenylthio)-2-benzotriazolyl]phenyl]propanamide IUPAC Name: 3-[3-tert-butyl-4-hydroxy-5-(5-phenylsulfanylbenzotriazol-2-yl)phenyl]propanamide Traditional Name: 3-[3-tert-butyl-4-hydroxy-5-[5-(phenylthio)benzotriazol-2-yl]phenyl]propionamide Formula: C25H26N4O2S MolecularWeight: 446.56454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)N)N2N=C3C=CC(=CC3=N2)SC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)N)N2N=C3C=CC(=CC3=N2)SC4=CC=CC=C4)O

InChI

InChI=1S/C25H26N4O2S/c1-25(2,3)19-13-16(9-12-23(26)30)14-22(24(19)31)29-27-20-11-10-18(15-21(20)28-29)32-17-7-5-4-6-8-17/h4-8,10-11,13-15,31H,9,12H2,1-3H3,(H2,26,30)