4-methyl-6-methylsulfanyl-7-nitro-5-oxidanylidene-1,4-benzothiazepine-3-carbonitrile

Systemtic Name: 4-methyl-6-methylsulfanyl-7-nitro-5-oxidanylidene-1,4-benzothiazepine-3-carbonitrile Openeye Name: 4-methyl-6-methylsulfanyl-7-nitro-5-oxo-1,4-benzothiazepine-3-carbonitrile CAS Name: 4-methyl-6-(methylthio)-7-nitro-5-oxo-1,4-benzothiazepine-3-carbonitrile IUPAC Name: 4-methyl-6-methylsulfanyl-7-nitro-5-oxo-1,4-benzothiazepine-3-carbonitrile Traditional Name: 5-keto-4-methyl-6-(methylthio)-7-nitro-1,4-benzothiazepine-3-carbonitrile Formula: C12H9N3O3S2 MolecularWeight: 307.34816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CSC2=C(C1=O)C(=C(C=C2)[N+](=O)[O-])SC)C#N

Isomeric SMILES

CN1C(=CSC2=C(C1=O)C(=C(C=C2)[N+](=O)[O-])SC)C#N

InChI

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