2-[(4-tert-butylphenyl)methylsulfanyl]-7-methoxy-4-pyridin-3-yl-quinoline

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-methoxy-4-pyridin-3-yl-quinoline Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-methoxy-4-(3-pyridyl)quinoline CAS Name: 2-[(4-tert-butylphenyl)methylthio]-7-methoxy-4-(3-pyridinyl)quinoline IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-methoxy-4-pyridin-3-ylquinoline Traditional Name: 2-[(4-tert-butylbenzyl)thio]-7-methoxy-4-(3-pyridyl)quinoline Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CN=CC=C4

InChI

InChI=1S/C26H26N2OS/c1-26(2,3)20-9-7-18(8-10-20)17-30-25-15-23(19-6-5-13-27-16-19)22-12-11-21(29-4)14-24(22)28-25/h5-16H,17H2,1-4H3