3,3-dimethyl-1-(2-methylsulfanylbenzo[e]benzimidazol-3-yl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(2-methylsulfanylbenzo[e]benzimidazol-3-yl)butan-2-one Openeye Name: 3,3-dimethyl-1-(2-methylsulfanylbenzo[e]benzimidazol-3-yl)butan-2-one CAS Name: 3,3-dimethyl-1-[2-(methylthio)-3-benzo[e]benzimidazolyl]-2-butanone IUPAC Name: 3,3-dimethyl-1-(2-methylsulfanylbenzo[e]benzimidazol-3-yl)butan-2-one Traditional Name: 3,3-dimethyl-1-[2-(methylthio)benzo[e]benzimidazol-3-yl]butan-2-one Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C3=CC=CC=C3C=C2)N=C1SC

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C3=CC=CC=C3C=C2)N=C1SC

InChI

InChI=1S/C18H20N2OS/c1-18(2,3)15(21)11-20-14-10-9-12-7-5-6-8-13(12)16(14)19-17(20)22-4/h5-10H,11H2,1-4H3