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

Systemtic Name: 4-chloranyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-ethyl-pyrazole-3-carboxamide Formula: C16H16ClN5OS2 MolecularWeight: 393.91414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5OS2/c1-2-22-13(11(17)8-19-22)14(23)20-16(24)21-15-10(7-18)9-5-3-4-6-12(9)25-15/h8H,2-6H2,1H3,(H2,20,21,23,24)