2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl benzoate

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl benzoate Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanylethyl benzoate CAS Name: benzoic acid 2-[(1-phenyl-5-tetrazolyl)thio]ethyl ester IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanylethyl benzoate Traditional Name: benzoic acid 2-[(1-phenyltetrazol-5-yl)thio]ethyl ester Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O2S/c21-15(13-7-3-1-4-8-13)22-11-12-23-16-17-18-19-20(16)14-9-5-2-6-10-14/h1-10H,11-12H2