(4-nitrophenyl)methyl 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]acetic acid (4-nitrobenzyl) ester Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4S/c22-15(25-10-12-6-8-14(9-7-12)21(23)24)11-26-16-17-18-19-20(16)13-4-2-1-3-5-13/h1-9H,10-11H2