N-[(3R)-3-cyano-3,3a,4,5,6,7-hexahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[(3R)-3-cyano-3,3a,4,5,6,7-hexahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: N-[(3R)-3-cyano-3,3a,4,5,6,7-hexahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: N-[(3R)-3-cyano-3,3a,4,5,6,7-hexahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[(3R)-3-cyano-3,3a,4,5,6,7-hexahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: N-[(3R)-3-cyano-3,3a,4,5,6,7-hexahydrobenzothiophen-2-yl]nicotinamide Formula: C15H15N3OS MolecularWeight: 285.3641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=S=C(C(C2C1)C#N)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C1CCC2=S=C([C@H](C2C1)C#N)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C15H15N3OS/c16-8-12-11-5-1-2-6-13(11)20-15(12)18-14(19)10-4-3-7-17-9-10/h3-4,7,9,11-12H,1-2,5-6H2,(H,18,19)/t11?,12-/m0/s1