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

Systemtic Name: 3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C25H22N4OS2 MolecularWeight: 458.59838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C25H22N4OS2/c1-16-6-8-17(9-7-16)21-11-10-18(14-26)24(28-21)31-13-12-23(30)29-25-20(15-27)19-4-2-3-5-22(19)32-25/h6-11H,2-5,12-13H2,1H3,(H,29,30)