[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl] ethanoate

Systemtic Name: [4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl] ethanoate Openeye Name: [4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenyl] acetate CAS Name: acetic acid [4-[[(1-phenyl-5-tetrazolyl)thio]methyl]phenyl] ester IUPAC Name: [4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenyl] acetate Traditional Name: acetic acid [4-[[(1-phenyltetrazol-5-yl)thio]methyl]phenyl] ester Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O2S/c1-12(21)22-15-9-7-13(8-10-15)11-23-16-17-18-19-20(16)14-5-3-2-4-6-14/h2-10H,11H2,1H3