1-(4-methoxyphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole Openeye Name: 1-(4-methoxyphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole CAS Name: 1-(4-methoxyphenyl)sulfonyl-2-[(3-nitrophenyl)methylthio]benzimidazole IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole Traditional Name: 1-(4-methoxyphenyl)sulfonyl-2-[(3-nitrobenzyl)thio]benzimidazole Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S2/c1-29-17-9-11-18(12-10-17)31(27,28)23-20-8-3-2-7-19(20)22-21(23)30-14-15-5-4-6-16(13-15)24(25)26/h2-13H,14H2,1H3