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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-(3-nitrophenyl)sulfonyl-benzimidazole Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-(3-nitrophenyl)sulfonyl-benzimidazole CAS Name: 2-[(4-chlorophenyl)methylthio]-1-(3-nitrophenyl)sulfonylbenzimidazole IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-(3-nitrophenyl)sulfonylbenzimidazole Traditional Name: 2-[(4-chlorobenzyl)thio]-1-(3-nitrophenyl)sulfonyl-benzimidazole Formula: C20H14ClN3O4S2 MolecularWeight: 459.92586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H14ClN3O4S2/c21-15-10-8-14(9-11-15)13-29-20-22-18-6-1-2-7-19(18)23(20)30(27,28)17-5-3-4-16(12-17)24(25)26/h1-12H,13H2