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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(o-tolylmethylsulfanyl)acetamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(2-methylphenyl)methylthio]acetamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(2-methylbenzyl)thio]acetamide Formula: C20H22N2OS2 MolecularWeight: 370.53148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSCC3=CC=CC=C3C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CSCC3=CC=CC=C3C

InChI

InChI=1S/C20H22N2OS2/c1-13-7-8-16-17(10-21)20(25-18(16)9-13)22-19(23)12-24-11-15-6-4-3-5-14(15)2/h3-6,13H,7-9,11-12H2,1-2H3,(H,22,23)/t13-/m0/s1