N-(4-bromophenyl)-4-[(E)-(2-nitrophenyl)methylideneamino]-5-sulfanylidene-1,2,4-triazole-1-carbothioamide

Systemtic Name: N-(4-bromophenyl)-4-[(E)-(2-nitrophenyl)methylideneamino]-5-sulfanylidene-1,2,4-triazole-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-[(E)-(2-nitrophenyl)methyleneamino]-5-thioxo-1,2,4-triazole-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-[(E)-(2-nitrophenyl)methylideneamino]-5-sulfanylidene-1,2,4-triazole-1-carbothioamide IUPAC Name: N-(4-bromophenyl)-4-[(E)-(2-nitrophenyl)methylideneamino]-5-sulfanylidene-1,2,4-triazole-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-[(E)-(2-nitrobenzylidene)amino]-5-thioxo-1,2,4-triazole-1-carbothioamide Formula: C16H11BrN6O2S2 MolecularWeight: 463.33154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NN2C=NN(C2=S)C(=S)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/N2C=NN(C2=S)C(=S)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN6O2S2/c17-12-5-7-13(8-6-12)20-15(26)22-16(27)21(10-19-22)18-9-11-3-1-2-4-14(11)23(24)25/h1-10H,(H,20,26)/b18-9+