2-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-iodanyl-benzamide

Systemtic Name: 2-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-iodanyl-benzamide Openeye Name: 2-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-iodo-benzamide CAS Name: 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-iodobenzamide IUPAC Name: 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-iodobenzamide Traditional Name: 2-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-iodo-benzamide Formula: C16H12ClIN2OS MolecularWeight: 442.70175

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)I)Cl)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)I)Cl)C#N

InChI

InChI=1S/C16H12ClIN2OS/c17-13-6-5-9(18)7-11(13)15(21)20-16-12(8-19)10-3-1-2-4-14(10)22-16/h5-7H,1-4H2,(H,20,21)