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

Systemtic Name: N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-1-ethyl-pyrazole-4-carboxamide Openeye Name: N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-1-ethyl-pyrazole-4-carboxamide CAS Name: N-[[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-1-ethyl-4-pyrazolecarboxamide IUPAC Name: N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-1-ethylpyrazole-4-carboxamide Traditional Name: N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-1-ethyl-pyrazole-4-carboxamide Formula: C17H19N5OS2 MolecularWeight: 373.49566

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C3=C(S2)C[C@@H](CC3)C)C#N

InChI

InChI=1S/C17H19N5OS2/c1-3-22-9-11(8-19-22)15(23)20-17(24)21-16-13(7-18)12-5-4-10(2)6-14(12)25-16/h8-10H,3-6H2,1-2H3,(H2,20,21,23,24)/t10-/m1/s1