N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-(p-tolyl)cinchoninamide Formula: C27H19N5OS2 MolecularWeight: 493.60266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H19N5OS2/c1-17-6-12-20(13-7-17)24-14-22(21-4-2-3-5-23(21)29-24)25(33)30-26-31-32-27(35-26)34-16-19-10-8-18(15-28)9-11-19/h2-14H,16H2,1H3,(H,30,31,33)