N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-iodanyl-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-iodanyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-iodo-2-methyl-pyrazole-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-iodo-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-iodo-2-methylpyrazole-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-iodo-2-methyl-pyrazole-3-carboxamide Formula: C14H13IN4OS MolecularWeight: 412.24869

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)I)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CN1C(=C(C=N1)I)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C14H13IN4OS/c1-19-12(10(15)7-17-19)13(20)18-14-9(6-16)8-4-2-3-5-11(8)21-14/h7H,2-5H2,1H3,(H,18,20)