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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-iodo-3,5-dimethyl-1-pyrazolyl)acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetamide Formula: C16H17IN4OS MolecularWeight: 440.30185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C)I

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C)I

InChI

InChI=1S/C16H17IN4OS/c1-9-15(17)10(2)21(20-9)8-14(22)19-16-12(7-18)11-5-3-4-6-13(11)23-16/h3-6,8H2,1-2H3,(H,19,22)