S-(1-methyl-1,2,3,4-tetrazol-5-yl) 2-phenylethanethioate

Systemtic Name: S-(1-methyl-1,2,3,4-tetrazol-5-yl) 2-phenylethanethioate Openeye Name: S-(1-methyltetrazol-5-yl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(1-methyl-5-tetrazolyl) ester IUPAC Name: S-(1-methyltetrazol-5-yl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(1-methyltetrazol-5-yl) ester Formula: C10H10N4OS MolecularWeight: 234.2776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC(=O)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=N1)SC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C10H10N4OS/c1-14-10(11-12-13-14)16-9(15)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3