2,9-dimethyl-4-methylsulfanyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile

Systemtic Name: 2,9-dimethyl-4-methylsulfanyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile Openeye Name: 2,9-dimethyl-4-methylsulfanyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile CAS Name: 2,9-dimethyl-4-(methylthio)-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile IUPAC Name: 2,9-dimethyl-4-methylsulfanyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile Traditional Name: 2,9-dimethyl-4-(methylthio)-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile Formula: C17H16N2S2 MolecularWeight: 312.45234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3=C(CCS2)C(=C(C(=N3)C)C#N)SC

Isomeric SMILES

CC1=CC2=C(C=C1)C3=C(CCS2)C(=C(C(=N3)C)C#N)SC

InChI

InChI=1S/C17H16N2S2/c1-10-4-5-12-15(8-10)21-7-6-13-16(12)19-11(2)14(9-18)17(13)20-3/h4-5,8H,6-7H2,1-3H3