N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C16H18N4OS2 MolecularWeight: 346.47032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C16H18N4OS2/c1-10-3-4-11-12(8-17)15(23-13(11)7-10)19-14(21)9-22-16-18-5-6-20(16)2/h5-6,10H,3-4,7,9H2,1-2H3,(H,19,21)/t10-/m0/s1