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

Systemtic Name: 3-(3-bromophenyl)-4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-bromophenyl)-4-[(Z)-(5-nitro-2-furyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-bromophenyl)-4-[(Z)-(5-nitro-2-furanyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-bromophenyl)-4-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-bromophenyl)-4-[(Z)-(5-nitro-2-furyl)methyleneamino]-1H-1,2,4-triazole-5-thione Formula: C13H8BrN5O3S MolecularWeight: 394.20332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NNC(=S)N2N=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NNC(=S)N2/N=C\C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C13H8BrN5O3S/c14-9-3-1-2-8(6-9)12-16-17-13(23)18(12)15-7-10-4-5-11(22-10)19(20)21/h1-7H,(H,17,23)/b15-7-