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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]propionamide Formula: C29H30N4OS2 MolecularWeight: 514.7047

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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)CC(CC4)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N

InChI

InChI=1S/C29H30N4OS2/c1-18-5-7-19(8-6-18)24-12-9-20(16-30)27(32-24)35-14-13-26(34)33-28-23(17-31)22-11-10-21(29(2,3)4)15-25(22)36-28/h5-9,12,21H,10-11,13-15H2,1-4H3,(H,33,34)