2-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methylthio]-1H-benzimidazole Formula: C20H21N5S MolecularWeight: 363.47924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N5S/c1-20(2,3)14-10-8-13(9-11-14)18-23-17(24-25-18)12-26-19-21-15-6-4-5-7-16(15)22-19/h4-11H,12H2,1-3H3,(H,21,22)(H,23,24,25)