(4-nitrophenyl)methyl 2-[(4-ethylsulfanyl-3-methyl-pyridin-2-yl)methylsulfinyl]benzimidazole-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(4-ethylsulfanyl-3-methyl-pyridin-2-yl)methylsulfinyl]benzimidazole-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(4-ethylsulfanyl-3-methyl-2-pyridyl)methylsulfinyl]benzimidazole-1-carboxylate CAS Name: 2-[[4-(ethylthio)-3-methyl-2-pyridinyl]methylsulfinyl]-1-benzimidazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(4-ethylsulfanyl-3-methylpyridin-2-yl)methylsulfinyl]benzimidazole-1-carboxylate Traditional Name: 2-[[4-(ethylthio)-3-methyl-2-pyridyl]methylsulfinyl]benzimidazole-1-carboxylic acid (4-nitrobenzyl) ester Formula: C24H22N4O5S2 MolecularWeight: 510.58528

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCSC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H22N4O5S2/c1-3-34-22-12-13-25-20(16(22)2)15-35(32)23-26-19-6-4-5-7-21(19)27(23)24(29)33-14-17-8-10-18(11-9-17)28(30)31/h4-13H,3,14-15H2,1-2H3