N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-iodanylpyrazol-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-iodanylpyrazol-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-iodopyrazol-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-iodo-1-pyrazolyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-iodopyrazol-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-iodopyrazol-1-yl)acetamide Formula: C14H13IN4OS MolecularWeight: 412.24869

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=C(C=N3)I)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=C(C=N3)I)C#N

InChI

InChI=1S/C14H13IN4OS/c15-9-6-17-19(7-9)8-13(20)18-14-11(5-16)10-3-1-2-4-12(10)21-14/h6-7H,1-4,8H2,(H,18,20)