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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-phenyl-cinchoninamide Formula: C26H17N5OS2 MolecularWeight: 479.57608

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C26H17N5OS2/c27-15-17-10-12-18(13-11-17)16-33-26-31-30-25(34-26)29-24(32)21-14-23(19-6-2-1-3-7-19)28-22-9-5-4-8-20(21)22/h1-14H,16H2,(H,29,30,32)