N-[bis(azanyl)methylidene]-4-bromanyl-5-methyl-1-benzothiophene-2-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-4-bromanyl-5-methyl-1-benzothiophene-2-carboxamide; methanesulfonic acid Openeye Name: 4-bromo-N-(diaminomethylene)-5-methyl-benzothiophene-2-carboxamide; methanesulfonic acid CAS Name: 4-bromo-N-(diaminomethylidene)-5-methyl-1-benzothiophene-2-carboxamide; methanesulfonic acid IUPAC Name: 4-bromo-N-(diaminomethylidene)-5-methyl-1-benzothiophene-2-carboxamide; methanesulfonic acid Traditional Name: 4-bromo-N-(diaminomethylene)-5-methyl-benzothiophene-2-carboxamide; mesylic acid Formula: C12H14BrN3O4S2 MolecularWeight: 408.29126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=C2)C(=O)N=C(N)N)Br.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=C2)C(=O)N=C(N)N)Br.CS(=O)(=O)O

InChI

InChI=1S/C11H10BrN3OS.CH4O3S/c1-5-2-3-7-6(9(5)12)4-8(17-7)10(16)15-11(13)14;1-5(2,3)4/h2-4H,1H3,(H4,13,14,15,16);1H3,(H,2,3,4)