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

Systemtic Name: 1-(4-ethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole Openeye Name: 1-(4-ethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole CAS Name: 1-(4-ethoxyphenyl)-2-[(3-nitrophenyl)methylthio]benzimidazole IUPAC Name: 1-(4-ethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]benzimidazole Traditional Name: 2-[(3-nitrobenzyl)thio]-1-p-phenetyl-benzimidazole Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O3S/c1-2-28-19-12-10-17(11-13-19)24-21-9-4-3-8-20(21)23-22(24)29-15-16-6-5-7-18(14-16)25(26)27/h3-14H,2,15H2,1H3