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

Systemtic Name: N-[bis(azanyl)methylidene]-4-phenyl-1-benzothiophene-2-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-4-phenyl-benzothiophene-2-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-4-phenyl-1-benzothiophene-2-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-4-phenyl-1-benzothiophene-2-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-4-phenyl-benzothiophene-2-carboxamide; mesylic acid Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C(C=C1)C2=C3C=C(SC3=CC=C2)C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C(C=C1)C2=C3C=C(SC3=CC=C2)C(=O)N=C(N)N

InChI

InChI=1S/C16H13N3OS.CH4O3S/c17-16(18)19-15(20)14-9-12-11(7-4-8-13(12)21-14)10-5-2-1-3-6-10;1-5(2,3)4/h1-9H,(H4,17,18,19,20);1H3,(H,2,3,4)