N-[bis(azanyl)methylidene]-4-(3-chloranyl-4-fluoranyl-phenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-(3-chloranyl-4-fluoranyl-phenyl)-1-benzothiophene-2-carboxamide Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-N-(diaminomethylene)benzothiophene-2-carboxamide CAS Name: 4-(3-chloro-4-fluorophenyl)-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide IUPAC Name: 4-(3-chloro-4-fluorophenyl)-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-N-(diaminomethylene)benzothiophene-2-carboxamide Formula: C16H11ClFN3OS MolecularWeight: 347.794443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClFN3OS/c17-11-6-8(4-5-12(11)18)9-2-1-3-13-10(9)7-14(23-13)15(22)21-16(19)20/h1-7H,(H4,19,20,21,22)