5-chloranyl-2-[(3-nitrophenyl)methylsulfanyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 5-chloranyl-2-[(3-nitrophenyl)methylsulfanyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole CAS Name: 5-chloro-2-[(3-nitrophenyl)methylthio]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[(3-nitrobenzyl)thio]benzimidazole Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O2S/c22-17-9-10-20-19(12-17)23-21(24(20)13-15-5-2-1-3-6-15)28-14-16-7-4-8-18(11-16)25(26)27/h1-12H,13-14H2