4-(2,2-dimethylpropyl)-8-methyl-2-methylsulfanyl-quinoline

Systemtic Name: 4-(2,2-dimethylpropyl)-8-methyl-2-methylsulfanyl-quinoline Openeye Name: 4-(2,2-dimethylpropyl)-8-methyl-2-methylsulfanyl-quinoline CAS Name: 4-(2,2-dimethylpropyl)-8-methyl-2-(methylthio)quinoline IUPAC Name: 4-(2,2-dimethylpropyl)-8-methyl-2-methylsulfanylquinoline Traditional Name: 8-methyl-2-(methylthio)-4-neopentyl-quinoline Formula: C16H21NS MolecularWeight: 259.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2CC(C)(C)C)SC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2CC(C)(C)C)SC

InChI

InChI=1S/C16H21NS/c1-11-7-6-8-13-12(10-16(2,3)4)9-14(18-5)17-15(11)13/h6-9H,10H2,1-5H3