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

Systemtic Name: 4-bromanyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-1-ethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-1-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-1-ethyl-pyrazole-3-carboxamide Formula: C16H16BrN5OS2 MolecularWeight: 438.36514

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)Br

InChI

InChI=1S/C16H16BrN5OS2/c1-2-22-8-11(17)13(21-22)14(23)19-16(24)20-15-10(7-18)9-5-3-4-6-12(9)25-15/h8H,2-6H2,1H3,(H2,19,20,23,24)