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

Systemtic Name: N-[bis(azanyl)methylidene]-4-(4-fluorophenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-4-(4-fluorophenyl)benzothiophene-2-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-4-(4-fluorophenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-4-(4-fluorophenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-4-(4-fluorophenyl)benzothiophene-2-carboxamide; mesylic acid Formula: C17H16FN3O4S2 MolecularWeight: 409.455043

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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)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=C2C=C(SC2=C1)C(=O)N=C(N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H12FN3OS.CH4O3S/c17-10-6-4-9(5-7-10)11-2-1-3-13-12(11)8-14(22-13)15(21)20-16(18)19;1-5(2,3)4/h1-8H,(H4,18,19,20,21);1H3,(H,2,3,4)