2,2-dimethyl-6-(2-methylsulfanylphenyl)-4-(phenethylsulfanylmethyl)-1H-quinoline

Systemtic Name: 2,2-dimethyl-6-(2-methylsulfanylphenyl)-4-(phenethylsulfanylmethyl)-1H-quinoline Openeye Name: 2,2-dimethyl-6-(2-methylsulfanylphenyl)-4-(phenethylsulfanylmethyl)-1H-quinoline CAS Name: 2,2-dimethyl-6-[2-(methylthio)phenyl]-4-[(phenethylthio)methyl]-1H-quinoline IUPAC Name: 2,2-dimethyl-6-(2-methylsulfanylphenyl)-4-(phenethylsulfanylmethyl)-1H-quinoline Traditional Name: 2,2-dimethyl-6-[2-(methylthio)phenyl]-4-[(phenethylthio)methyl]-1H-quinoline Formula: C27H29NS2 MolecularWeight: 431.65586

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3SC)CSCCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3SC)CSCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H29NS2/c1-27(2)18-22(19-30-16-15-20-9-5-4-6-10-20)24-17-21(13-14-25(24)28-27)23-11-7-8-12-26(23)29-3/h4-14,17-18,28H,15-16,19H2,1-3H3