4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-tert-butylphenyl)butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-tert-butylphenyl)butan-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-tert-butylphenyl)butan-1-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-(4-tert-butylphenyl)-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-tert-butylphenyl)butan-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-(4-tert-butylphenyl)butan-1-one Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H24N2OS/c1-21(2,3)16-12-10-15(11-13-16)19(24)9-6-14-25-20-22-17-7-4-5-8-18(17)23-20/h4-5,7-8,10-13H,6,9,14H2,1-3H3,(H,22,23)