N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(5-nitro-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(5-nitro-2-pyridinyl)thio]acetamide IUPAC Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-nitropyridin-2-yl)sulfanylacetamide Traditional Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-[(5-nitro-2-pyridyl)thio]acetamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S2/c1-20(2,3)12-4-6-14-15(9-21)19(29-16(14)8-12)23-17(25)11-28-18-7-5-13(10-22-18)24(26)27/h5,7,10,12H,4,6,8,11H2,1-3H3,(H,23,25)/t12-/m1/s1