2-chloranyl-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide

Systemtic Name: 2-chloranyl-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-chloro-nicotinamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H22ClN3OS/c1-4-20(2,3)12-7-8-13-15(11-22)19(26-16(13)10-12)24-18(25)14-6-5-9-23-17(14)21/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,24,25)