4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(5-nitro-2-furyl)methyleneamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(5-nitro-2-furanyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(5-nitro-2-furyl)methyleneamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C12H8N6O3S MolecularWeight: 316.29532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NNC(=S)N2N=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC=C1C2=NNC(=S)N2/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C12H8N6O3S/c19-18(20)10-2-1-9(21-10)7-14-17-11(15-16-12(17)22)8-3-5-13-6-4-8/h1-7H,(H,16,22)/b14-7+