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

Systemtic Name: 2-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-1H-benzimidazole Openeye Name: 2-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-1H-benzimidazole CAS Name: 2-[2-[5-[(4-tert-butylphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-1H-benzimidazole IUPAC Name: 2-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-1H-benzimidazole Traditional Name: 2-[2-[5-[(4-tert-butylbenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-1H-benzimidazole Formula: C23H27N5S MolecularWeight: 405.55898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H27N5S/c1-23(2,3)17-11-9-16(10-12-17)15-29-22-27-26-21(28(22)4)14-13-20-24-18-7-5-6-8-19(18)25-20/h5-12H,13-15H2,1-4H3,(H,24,25)