S-(5-phenyl-1H-1,2,4-triazol-3-yl) ethanethioate

Systemtic Name: S-(5-phenyl-1H-1,2,4-triazol-3-yl) ethanethioate Openeye Name: S-(5-phenyl-1H-1,2,4-triazol-3-yl) ethanethioate CAS Name: ethanethioic acid S-(5-phenyl-1H-1,2,4-triazol-3-yl) ester IUPAC Name: S-(5-phenyl-1H-1,2,4-triazol-3-yl) ethanethioate Traditional Name: ethanethioic acid S-(5-phenyl-1H-1,2,4-triazol-3-yl) ester Formula: C10H9N3OS MolecularWeight: 219.26296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)SC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C10H9N3OS/c1-7(14)15-10-11-9(12-13-10)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,13)