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

Systemtic Name: N-[bis(azanyl)methylidene]-4-(trifluoromethyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-4-(trifluoromethyl)benzothiophene-2-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-4-(trifluoromethyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-4-(trifluoromethyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-4-(trifluoromethyl)benzothiophene-2-carboxamide; mesylic acid Formula: C12H12F3N3O4S2 MolecularWeight: 383.36659

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C11H8F3N3OS.CH4O3S/c12-11(13,14)6-2-1-3-7-5(6)4-8(19-7)9(18)17-10(15)16;1-5(2,3)4/h1-4H,(H4,15,16,17,18);1H3,(H,2,3,4)