S-[4-butyl-5-(phenylcarbonylimino)-1,2,4-thiadiazol-3-yl] benzenecarbothioate

Systemtic Name: S-[4-butyl-5-(phenylcarbonylimino)-1,2,4-thiadiazol-3-yl] benzenecarbothioate Openeye Name: S-(5-benzoylimino-4-butyl-1,2,4-thiadiazol-3-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(5-benzoylimino-4-butyl-1,2,4-thiadiazol-3-yl) ester IUPAC Name: S-(5-benzoylimino-4-butyl-1,2,4-thiadiazol-3-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(5-benzoylimino-4-butyl-1,2,4-thiadiazol-3-yl) ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NSC1=NC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NSC1=NC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O2S2/c1-2-3-14-23-19(21-17(24)15-10-6-4-7-11-15)27-22-20(23)26-18(25)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3