4-[(Z)-(4-nitrophenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(Z)-(4-nitrophenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[(Z)-(4-nitrophenyl)methyleneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(Z)-(4-nitrophenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(Z)-(4-nitrophenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[(Z)-(4-nitrobenzylidene)amino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Formula: C16H12N5O3S- MolecularWeight: 354.36318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NN=C(N2N=CC3=CC=C(C=C3)[N+](=O)[O-])[S-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NN=C(N2/N=C\C3=CC=C(C=C3)[N+](=O)[O-])[S-]

InChI

InChI=1S/C16H13N5O3S/c22-21(23)13-8-6-12(7-9-13)10-17-20-15(18-19-16(20)25)11-24-14-4-2-1-3-5-14/h1-10H,11H2,(H,19,25)/p-1/b17-10-