N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,7-dimethyl-quinoline-3-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,7-dimethyl-quinoline-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,7-dimethyl-quinoline-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2,7-dimethyl-3-quinolinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,7-dimethylquinoline-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2,7-dimethyl-quinoline-3-carboxamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C(=O)NCCSCC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C(=O)NCCSCC3=CC=CC=C3C#N)C

InChI

InChI=1S/C22H21N3OS/c1-15-7-8-17-12-20(16(2)25-21(17)11-15)22(26)24-9-10-27-14-19-6-4-3-5-18(19)13-23/h3-8,11-12H,9-10,14H2,1-2H3,(H,24,26)