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

Systemtic Name: 4-tert-butyl-N-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 4-tert-butyl-N-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 4-tert-butyl-N-[[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 4-tert-butyl-N-[[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C21H24N4OS/c1-21(2,3)16-12-10-15(11-13-16)19(26)22-14-18-23-24-20(27-4)25(18)17-8-6-5-7-9-17/h5-13H,14H2,1-4H3,(H,22,26)