2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1-[(4-nitrophenyl)methyl]benzimidazole

Systemtic Name: 2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1-[(4-nitrophenyl)methyl]benzimidazole Openeye Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1-[(4-nitrophenyl)methyl]benzimidazole CAS Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-[(4-nitrophenyl)methyl]benzimidazole IUPAC Name: 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1-[(4-nitrophenyl)methyl]benzimidazole Traditional Name: 2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1-(4-nitrobenzyl)benzimidazole Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4S/c1-15-12-24-20(16(2)22(15)31-3)14-32(30)23-25-19-6-4-5-7-21(19)26(23)13-17-8-10-18(11-9-17)27(28)29/h4-12H,13-14H2,1-3H3