(1-phenyl-1,2,3,4-tetrazol-5-yl) (E)-N-[(4-nitrophenyl)amino]benzenecarboximidothioate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl) (E)-N-[(4-nitrophenyl)amino]benzenecarboximidothioate Openeye Name: (1-phenyltetrazol-5-yl) (E)-N-(4-nitroanilino)benzenecarboximidothioate CAS Name: (E)-N-(4-nitroanilino)benzenecarboximidothioic acid (1-phenyl-5-tetrazolyl) ester IUPAC Name: (1-phenyltetrazol-5-yl) (E)-N-(4-nitroanilino)benzenecarboximidothioate Traditional Name: (E)-N-(4-nitroanilino)benzenecarboximidothioic acid (1-phenyltetrazol-5-yl) ester Formula: C20H15N7O2S MolecularWeight: 417.4438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)/C(=N\NC2=CC=C(C=C2)[N+](=O)[O-])/SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H15N7O2S/c28-27(29)18-13-11-16(12-14-18)21-22-19(15-7-3-1-4-8-15)30-20-23-24-25-26(20)17-9-5-2-6-10-17/h1-14,21H/b22-19+