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

Systemtic Name: N-(4-tert-butylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(4-tert-butylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(4-tert-butylphenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(4-tert-butylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-tert-butylphenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-20(2,3)16-8-10-17(11-9-16)23-18(25)15-6-4-14(5-7-15)12-26-19-21-13-22-24-19/h4-11,13H,12H2,1-3H3,(H,23,25)(H,21,22,24)