4-[5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide

Systemtic Name: 4-[5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide Openeye Name: 4-[5-(4-pyridylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide CAS Name: 4-[5-(pyridin-4-ylmethylthio)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide IUPAC Name: 4-[5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenecarbothioamide Traditional Name: 4-[5-(4-pyridylmethylthio)-1,3,4-oxadiazol-2-yl]thiobenzamide Formula: C15H12N4OS2 MolecularWeight: 328.41198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(O2)SCC3=CC=NC=C3)C(=S)N

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(O2)SCC3=CC=NC=C3)C(=S)N

InChI

InChI=1S/C15H12N4OS2/c16-13(21)11-1-3-12(4-2-11)14-18-19-15(20-14)22-9-10-5-7-17-8-6-10/h1-8H,9H2,(H2,16,21)