N-[bis(azanyl)methylidene]-4-nitro-1-benzothiophene-2-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-4-nitro-1-benzothiophene-2-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-4-nitro-benzothiophene-2-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-4-nitro-1-benzothiophene-2-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-4-nitro-1-benzothiophene-2-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-4-nitro-benzothiophene-2-carboxamide; mesylic acid Formula: C11H12N4O6S2 MolecularWeight: 360.36618

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=C2C=C(SC2=C1)C(=O)N=C(N)N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=C2C=C(SC2=C1)C(=O)N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O3S.CH4O3S/c11-10(12)13-9(15)8-4-5-6(14(16)17)2-1-3-7(5)18-8;1-5(2,3)4/h1-4H,(H4,11,12,13,15);1H3,(H,2,3,4)