2-(3,3-dimethyl-7-methylsulfanyl-2H-1-benzoxepin-5-yl)pyridine

Systemtic Name: 2-(3,3-dimethyl-7-methylsulfanyl-2H-1-benzoxepin-5-yl)pyridine Openeye Name: 2-(3,3-dimethyl-7-methylsulfanyl-2H-1-benzoxepin-5-yl)pyridine CAS Name: 2-[3,3-dimethyl-7-(methylthio)-2H-1-benzoxepin-5-yl]pyridine IUPAC Name: 2-(3,3-dimethyl-7-methylsulfanyl-2H-1-benzoxepin-5-yl)pyridine Traditional Name: 2-[3,3-dimethyl-7-(methylthio)-2H-1-benzoxepin-5-yl]pyridine Formula: C18H19NOS MolecularWeight: 297.41456

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)SC)C(=C1)C3=CC=CC=N3)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)SC)C(=C1)C3=CC=CC=N3)C

InChI

InChI=1S/C18H19NOS/c1-18(2)11-15(16-6-4-5-9-19-16)14-10-13(21-3)7-8-17(14)20-12-18/h4-11H,12H2,1-3H3