S-(1,2,3,4-thiatriazol-5-yl) 4-cyanobenzenecarbothioate

Systemtic Name: S-(1,2,3,4-thiatriazol-5-yl) 4-cyanobenzenecarbothioate Openeye Name: S-(thiatriazol-5-yl) 4-cyanobenzenecarbothioate CAS Name: 4-cyanobenzenecarbothioic acid S-(5-thiatriazolyl) ester IUPAC Name: S-(thiatriazol-5-yl) 4-cyanobenzenecarbothioate Traditional Name: 4-cyanothiobenzoic acid S-(thiatriazol-5-yl) ester Formula: C9H4N4OS2 MolecularWeight: 248.28426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)SC2=NN=NS2

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)SC2=NN=NS2

InChI

InChI=1S/C9H4N4OS2/c10-5-6-1-3-7(4-2-6)8(14)15-9-11-12-13-16-9/h1-4H