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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-iodanyl-1H-pyrazole-5-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-iodo-1H-pyrazole-5-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-iodo-1H-pyrazole-5-carboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-iodo-1H-pyrazole-5-carboxamide Formula: C13H11IN4OS MolecularWeight: 398.22211

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=NN3)I)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=NN3)I)C#N

InChI

InChI=1S/C13H11IN4OS/c14-9-6-16-18-11(9)12(19)17-13-8(5-15)7-3-1-2-4-10(7)20-13/h6H,1-4H2,(H,16,18)(H,17,19)