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

Systemtic Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: 3-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]propanamide IUPAC Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanylpropanamide Traditional Name: 3-[(3-cyano-6-isopropyl-2-pyridyl)thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C27H26N4OS2 MolecularWeight: 486.65154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H26N4OS2/c1-17(2)23-11-9-20(15-28)26(30-23)33-13-12-25(32)31-27-22(16-29)21-10-8-19(14-24(21)34-27)18-6-4-3-5-7-18/h3-7,9,11,17,19H,8,10,12-14H2,1-2H3,(H,31,32)