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

Systemtic Name: 3-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine Openeye Name: 3-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine CAS Name: 3-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-5-phenyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine Traditional Name: [3-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-5-phenyl-1,2,4-triazol-4-yl]amine Formula: C16H13N7O2S MolecularWeight: 367.38512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N7O2S/c17-22-15(10-4-2-1-3-5-10)20-21-16(22)26-9-14-18-12-7-6-11(23(24)25)8-13(12)19-14/h1-8H,9,17H2,(H,18,19)