N-[bis(azanyl)methylidene]-4-(2-chloranyl-5-fluoranyl-phenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-(2-chloranyl-5-fluoranyl-phenyl)-1-benzothiophene-2-carboxamide Openeye Name: 4-(2-chloro-5-fluoro-phenyl)-N-(diaminomethylene)benzothiophene-2-carboxamide CAS Name: 4-(2-chloro-5-fluorophenyl)-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide IUPAC Name: 4-(2-chloro-5-fluorophenyl)-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide Traditional Name: 4-(2-chloro-5-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=C(C=CC(=C3)F)Cl

Isomeric SMILES

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

InChI

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