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

Systemtic Name: N-[(4-nitrophenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(4-nitrophenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(4-nitrophenyl)methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(4-nitrophenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: (4-nitrobenzyl)-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCNCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCNCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O2S/c23-22(24)15-8-6-13(7-9-15)12-17-10-11-25-16-18-19-20-21(16)14-4-2-1-3-5-14/h1-9,17H,10-12H2