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

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-iodanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-4-iodo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-4-iodo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-iodo-1-methylpyrazole-3-carboxamide Traditional Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-4-iodo-1-methyl-pyrazole-3-carboxamide Formula: C15H14IN5OS2 MolecularWeight: 471.33903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14IN5OS2/c1-21-7-10(16)12(20-21)13(22)18-15(23)19-14-9(6-17)8-4-2-3-5-11(8)24-14/h7H,2-5H2,1H3,(H2,18,19,22,23)