4-[(E)-(3-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(3-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(3-nitrophenyl)methyleneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(3-nitrobenzylidene)amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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