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

Systemtic Name: 4-tert-butyl-N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 4-tert-butyl-N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 4-tert-butyl-N-[[5-(butylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 4-tert-butyl-N-[[5-(butylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H30N4OS/c1-5-6-16-30-23-27-26-21(28(23)20-10-8-7-9-11-20)17-25-22(29)18-12-14-19(15-13-18)24(2,3)4/h7-15H,5-6,16-17H2,1-4H3,(H,25,29)