3-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]sulfanyl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-2-yl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C27H26N6OS3 MolecularWeight: 546.72994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CS4)C#N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=CS4)C#N

InChI

InChI=1S/C27H26N6OS3/c1-27(2,3)15-6-7-16-17(12-28)26(37-21(16)11-15)32-22(34)8-10-36-25-19(14-30)23(20-5-4-9-35-20)18(13-29)24(31)33-25/h4-5,9,15H,6-8,10-11H2,1-3H3,(H2,31,33)(H,32,34)