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

Systemtic Name: N-[bis(azanyl)methylidene]-4-(2-fluoranyl-5-methyl-phenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-4-(2-fluoro-5-methyl-phenyl)benzothiophene-2-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-4-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-4-(2-fluoro-5-methylphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-4-(2-fluoro-5-methyl-phenyl)benzothiophene-2-carboxamide; mesylic acid Formula: C18H18FN3O4S2 MolecularWeight: 423.481623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)C2=C3C=C(SC3=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)F)C2=C3C=C(SC3=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C17H14FN3OS.CH4O3S/c1-9-5-6-13(18)11(7-9)10-3-2-4-14-12(10)8-15(23-14)16(22)21-17(19)20;1-5(2,3)4/h2-8H,1H3,(H4,19,20,21,22);1H3,(H,2,3,4)