4-tert-butyl-N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 4-tert-butyl-N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 4-tert-butyl-N-[[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 4-tert-butyl-N-[[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H26N4OS MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H26N4OS/c1-5-28-21-25-24-19(26(21)18-9-7-6-8-10-18)15-23-20(27)16-11-13-17(14-12-16)22(2,3)4/h6-14H,5,15H2,1-4H3,(H,23,27)