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

Systemtic Name: 4-azanyl-N-[bis(azanyl)methylidene]-1-benzothiophene-2-carboxamide; methanesulfonic acid Openeye Name: 4-amino-N-(diaminomethylene)benzothiophene-2-carboxamide; methanesulfonic acid CAS Name: 4-amino-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide; methanesulfonic acid IUPAC Name: 4-amino-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide; methanesulfonic acid Traditional Name: 4-amino-N-(diaminomethylene)benzothiophene-2-carboxamide; mesylic acid Formula: C11H14N4O4S2 MolecularWeight: 330.38326

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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

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=C2C=C(SC2=C1)C(=O)N=C(N)N)N

InChI

InChI=1S/C10H10N4OS.CH4O3S/c11-6-2-1-3-7-5(6)4-8(16-7)9(15)14-10(12)13;1-5(2,3)4/h1-4H,11H2,(H4,12,13,14,15);1H3,(H,2,3,4)