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

Systemtic Name: 4-methyl-2-methylsulfanyl-8-nitro-5-oxidanylidene-1,4-benzothiazepine-3-carbonitrile Openeye Name: 4-methyl-2-methylsulfanyl-8-nitro-5-oxo-1,4-benzothiazepine-3-carbonitrile CAS Name: 4-methyl-2-(methylthio)-8-nitro-5-oxo-1,4-benzothiazepine-3-carbonitrile IUPAC Name: 4-methyl-2-methylsulfanyl-8-nitro-5-oxo-1,4-benzothiazepine-3-carbonitrile Traditional Name: 5-keto-4-methyl-2-(methylthio)-8-nitro-1,4-benzothiazepine-3-carbonitrile Formula: C12H9N3O3S2 MolecularWeight: 307.34816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(SC2=C(C1=O)C=CC(=C2)[N+](=O)[O-])SC)C#N

Isomeric SMILES

CN1C(=C(SC2=C(C1=O)C=CC(=C2)[N+](=O)[O-])SC)C#N

InChI

InChI=1S/C12H9N3O3S2/c1-14-9(6-13)12(19-2)20-10-5-7(15(17)18)3-4-8(10)11(14)16/h3-5H,1-2H3