N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-pyridyl)cinchoninamide Formula: C30H22N4OS MolecularWeight: 486.58688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6

InChI

InChI=1S/C30H22N4OS/c31-18-24-22-14-13-20(19-8-2-1-3-9-19)16-28(22)36-30(24)34-29(35)23-17-27(26-12-6-7-15-32-26)33-25-11-5-4-10-21(23)25/h1-12,15,17,20H,13-14,16H2,(H,34,35)