8-chloranyl-4-methyl-2-methylsulfanyl-5-oxidanylidene-1,4-benzothiazepine-3-carbonitrile

Systemtic Name: 8-chloranyl-4-methyl-2-methylsulfanyl-5-oxidanylidene-1,4-benzothiazepine-3-carbonitrile Openeye Name: 8-chloro-4-methyl-2-methylsulfanyl-5-oxo-1,4-benzothiazepine-3-carbonitrile CAS Name: 8-chloro-4-methyl-2-(methylthio)-5-oxo-1,4-benzothiazepine-3-carbonitrile IUPAC Name: 8-chloro-4-methyl-2-methylsulfanyl-5-oxo-1,4-benzothiazepine-3-carbonitrile Traditional Name: 8-chloro-5-keto-4-methyl-2-(methylthio)-1,4-benzothiazepine-3-carbonitrile Formula: C12H9ClN2OS2 MolecularWeight: 296.79566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(SC2=C(C1=O)C=CC(=C2)Cl)SC)C#N

Isomeric SMILES

CN1C(=C(SC2=C(C1=O)C=CC(=C2)Cl)SC)C#N

InChI

InChI=1S/C12H9ClN2OS2/c1-15-9(6-14)12(17-2)18-10-5-7(13)3-4-8(10)11(15)16/h3-5H,1-2H3