3-(3-bromophenyl)-5-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(3-bromophenyl)-5-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3-bromophenyl)-5-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3-bromophenyl)-5-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3-bromophenyl)-5-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3-bromophenyl)-5-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C16H12BrN7O2S MolecularWeight: 446.28118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NN=C(N2N)SCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NN=C(N2N)SCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN7O2S/c17-10-3-1-2-9(6-10)15-21-22-16(23(15)18)27-8-14-19-12-5-4-11(24(25)26)7-13(12)20-14/h1-7H,8,18H2,(H,19,20)