N-[(4-tert-butylphenyl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-tert-butylbenzyl)-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C22H26N4OS/c1-22(2,3)19-11-7-16(8-12-19)13-26(4)20(27)18-9-5-17(6-10-18)14-28-21-23-15-24-25-21/h5-12,15H,13-14H2,1-4H3,(H,23,24,25)