2-[1,3-dihydrobenzimidazol-2-ylidene-(4-nitrophenyl)sulfanyl-methyl]-1H-benzimidazole

Systemtic Name: 2-[1,3-dihydrobenzimidazol-2-ylidene-(4-nitrophenyl)sulfanyl-methyl]-1H-benzimidazole Openeye Name: 2-[1,3-dihydrobenzimidazol-2-ylidene-(4-nitrophenyl)sulfanyl-methyl]-1H-benzimidazole CAS Name: 2-[1,3-dihydrobenzimidazol-2-ylidene-[(4-nitrophenyl)thio]methyl]-1H-benzimidazole IUPAC Name: 2-[1,3-dihydrobenzimidazol-2-ylidene-(4-nitrophenyl)sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[1,3-dihydrobenzimidazol-2-ylidene-[(4-nitrophenyl)thio]methyl]-1H-benzimidazole Formula: C21H15N5O2S MolecularWeight: 401.4411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C3=NC4=CC=CC=C4N3)SC5=CC=C(C=C5)[N+](=O)[O-])N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C3=NC4=CC=CC=C4N3)SC5=CC=C(C=C5)[N+](=O)[O-])N2

InChI

InChI=1S/C21H15N5O2S/c27-26(28)13-9-11-14(12-10-13)29-19(20-22-15-5-1-2-6-16(15)23-20)21-24-17-7-3-4-8-18(17)25-21/h1-12,22-23H,(H,24,25)