2-[(3-nitrophenyl)methylsulfanyl]-1-phenyl-benzimidazole

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-1-phenyl-benzimidazole Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-1-phenyl-benzimidazole CAS Name: 2-[(3-nitrophenyl)methylthio]-1-phenylbenzimidazole IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-1-phenylbenzimidazole Traditional Name: 2-[(3-nitrobenzyl)thio]-1-phenyl-benzimidazole Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2S/c24-23(25)17-10-6-7-15(13-17)14-26-20-21-18-11-4-5-12-19(18)22(20)16-8-2-1-3-9-16/h1-13H,14H2