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

Systemtic Name: 3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C31H26N4O2S2 MolecularWeight: 550.69374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=C(C4=C(S3)CC(CC4)C5=CC=CC=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=C(C4=C(S3)CC(CC4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C31H26N4O2S2/c1-37-24-11-7-21(8-12-24)27-14-10-23(18-32)30(34-27)38-16-15-29(36)35-31-26(19-33)25-13-9-22(17-28(25)39-31)20-5-3-2-4-6-20/h2-8,10-12,14,22H,9,13,15-17H2,1H3,(H,35,36)