2-methyl-4-methylsulfanyl-5,6-dihydro-[1]benzoxepino[5,4-b]pyridine-3-carbonitrile

Systemtic Name: 2-methyl-4-methylsulfanyl-5,6-dihydro-[1]benzoxepino[5,4-b]pyridine-3-carbonitrile Openeye Name: 2-methyl-4-methylsulfanyl-5,6-dihydro-[1]benzoxepino[5,4-b]pyridine-3-carbonitrile CAS Name: 2-methyl-4-(methylthio)-5,6-dihydro-[1]benzoxepino[5,4-b]pyridine-3-carbonitrile IUPAC Name: 2-methyl-4-methylsulfanyl-5,6-dihydro-[1]benzoxepino[5,4-b]pyridine-3-carbonitrile Traditional Name: 2-methyl-4-(methylthio)-5,6-dihydro-[1]benzoxepino[5,4-b]pyridine-3-carbonitrile Formula: C16H14N2OS MolecularWeight: 282.36016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(CCOC3=CC=CC=C32)C(=C1C#N)SC

Isomeric SMILES

CC1=NC2=C(CCOC3=CC=CC=C32)C(=C1C#N)SC

InChI

InChI=1S/C16H14N2OS/c1-10-13(9-17)16(20-2)12-7-8-19-14-6-4-3-5-11(14)15(12)18-10/h3-6H,7-8H2,1-2H3