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

Systemtic Name: 4-chloranyl-N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-2-ethyl-pyrazole-3-carboxamide Formula: C17H18ClN5OS2 MolecularWeight: 407.94072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5OS2/c1-3-23-14(12(18)8-20-23)15(24)21-17(25)22-16-11(7-19)10-5-4-9(2)6-13(10)26-16/h8-9H,3-6H2,1-2H3,(H2,21,22,24,25)/t9-/m1/s1