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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[1-(m-tolyl)imidazol-2-yl]thio]acetamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C21H20N4OS2/c1-14-5-4-6-15(11-14)25-10-9-23-21(25)27-13-19(26)24-20-17(12-22)16-7-2-3-8-18(16)28-20/h4-6,9-11H,2-3,7-8,13H2,1H3,(H,24,26)