2-[[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]methylthio]-1H-benzimidazole Formula: C16H12N6O2S MolecularWeight: 352.37048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=NC(=NN3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=NC(=NN3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O2S/c23-22(24)11-5-3-4-10(8-11)15-19-14(20-21-15)9-25-16-17-12-6-1-2-7-13(12)18-16/h1-8H,9H2,(H,17,18)(H,19,20,21)