6-nitro-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 6-nitro-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Openeye Name: 6-nitro-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 6-nitro-2-[[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 6-nitro-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 6-nitro-2-[[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C21H15N7O2S MolecularWeight: 429.4545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])C5=CN=CC=C5

InChI

InChI=1S/C21H15N7O2S/c29-28(30)16-8-9-17-18(11-16)24-19(23-17)13-31-21-26-25-20(14-5-4-10-22-12-14)27(21)15-6-2-1-3-7-15/h1-12H,13H2,(H,23,24)