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

Systemtic Name: S-(1-phenyl-1,2,3,4-tetrazol-5-yl) ethanethioate Openeye Name: S-(1-phenyltetrazol-5-yl) ethanethioate CAS Name: ethanethioic acid S-(1-phenyl-5-tetrazolyl) ester IUPAC Name: S-(1-phenyltetrazol-5-yl) ethanethioate Traditional Name: ethanethioic acid S-(1-phenyltetrazol-5-yl) ester Formula: C9H8N4OS MolecularWeight: 220.25102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(=O)SC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C9H8N4OS/c1-7(14)15-9-10-11-12-13(9)8-5-3-2-4-6-8/h2-6H,1H3