N-(2-tert-butyl-3H-benzimidazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(2-tert-butyl-3H-benzimidazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(2-tert-butyl-3H-benzimidazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(2-tert-butyl-3H-benzimidazol-5-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(2-tert-butyl-3H-benzimidazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(2-tert-butyl-3H-benzimidazol-5-yl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C21H22N6OS/c1-21(2,3)19-25-16-9-8-15(10-17(16)26-19)24-18(28)14-6-4-13(5-7-14)11-29-20-22-12-23-27-20/h4-10,12H,11H2,1-3H3,(H,24,28)(H,25,26)(H,22,23,27)