2-[(4-tert-butylphenyl)methylsulfanyl]quinoline-3-carbaldehyde

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]quinoline-3-carbaldehyde Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]quinoline-3-carbaldehyde CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-quinolinecarboxaldehyde IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]quinoline-3-carbaldehyde Traditional Name: 2-[(4-tert-butylbenzyl)thio]quinoline-3-carbaldehyde Formula: C21H21NOS MolecularWeight: 335.46254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C=C2C=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C=C2C=O

InChI

InChI=1S/C21H21NOS/c1-21(2,3)18-10-8-15(9-11-18)14-24-20-17(13-23)12-16-6-4-5-7-19(16)22-20/h4-13H,14H2,1-3H3