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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-1-(p-tolylsulfonyl)benzimidazole CAS Name: 1-(4-methylphenyl)sulfonyl-2-[(3-nitrophenyl)methylthio]benzimidazole IUPAC Name: 1-(4-methylphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole Traditional Name: 2-[(3-nitrobenzyl)thio]-1-tosyl-benzimidazole Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S2/c1-15-9-11-18(12-10-15)30(27,28)23-20-8-3-2-7-19(20)22-21(23)29-14-16-5-4-6-17(13-16)24(25)26/h2-13H,14H2,1H3