2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,2,4-trimethyl-6-trityl-1-quinolyl)ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[2,2,4-trimethyl-6-(triphenylmethyl)-1-quinolinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,2,4-trimethyl-6-tritylquinolin-1-yl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(2,2,4-trimethyl-6-trityl-1-quinolyl)ethanone Formula: C40H34N2OS2 MolecularWeight: 622.84076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CSC6=NC7=CC=CC=C7S6)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CSC6=NC7=CC=CC=C7S6)(C)C

InChI

InChI=1S/C40H34N2OS2/c1-28-26-39(2,3)42(37(43)27-44-38-41-34-21-13-14-22-36(34)45-38)35-24-23-32(25-33(28)35)40(29-15-7-4-8-16-29,30-17-9-5-10-18-30)31-19-11-6-12-20-31/h4-26H,27H2,1-3H3