methyl 2-[4-[(2-butyl-4-sulfanylidene-5H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(2-butyl-4-sulfanylidene-5H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(2-butyl-4-thioxo-5H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(2-butyl-4-sulfanylidene-5H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-butyl-4-sulfanylidene-5H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-4-thioxo-5H-imidazo[4,5-c]pyridin-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C=CNC2=S

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C=CNC2=S

InChI

InChI=1S/C25H25N3O2S/c1-3-4-9-22-27-23-21(14-15-26-24(23)31)28(22)16-17-10-12-18(13-11-17)19-7-5-6-8-20(19)25(29)30-2/h5-8,10-15H,3-4,9,16H2,1-2H3,(H,26,31)