2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[(3-cyano-7-methyl-2-quinolinyl)thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[(3-cyano-7-methyl-2-quinolyl)thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C22H18N4OS2 MolecularWeight: 418.53452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C#N

InChI

InChI=1S/C22H18N4OS2/c1-13-6-7-14-9-15(10-23)21(25-18(14)8-13)28-12-20(27)26-22-17(11-24)16-4-2-3-5-19(16)29-22/h6-9H,2-5,12H2,1H3,(H,26,27)