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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-(2-thienyl)cinchoninamide Formula: C24H15N5OS3 MolecularWeight: 485.6038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=NN=C(S4)SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H15N5OS3/c25-13-15-7-9-16(10-8-15)14-32-24-29-28-23(33-24)27-22(30)18-12-20(21-6-3-11-31-21)26-19-5-2-1-4-17(18)19/h1-12H,14H2,(H,27,28,30)