4-phenyl-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 4-phenyl-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 4-phenyl-N-[5-(4-quinolylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 4-phenyl-N-[5-(4-quinolinylthio)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 4-phenyl-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 4-phenyl-N-[5-(4-quinolylthio)-1,3,4-thiadiazol-2-yl]butyramide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NC2=NN=C(S2)SC3=CC=NC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NC2=NN=C(S2)SC3=CC=NC4=CC=CC=C43

InChI

InChI=1S/C21H18N4OS2/c26-19(12-6-9-15-7-2-1-3-8-15)23-20-24-25-21(28-20)27-18-13-14-22-17-11-5-4-10-16(17)18/h1-5,7-8,10-11,13-14H,6,9,12H2,(H,23,24,26)