methyl 5-[(2-butyl-4-sulfanylidene-5H-imidazo[4,5-c]pyridin-3-yl)methyl]-2-phenyl-benzoate

Systemtic Name: methyl 5-[(2-butyl-4-sulfanylidene-5H-imidazo[4,5-c]pyridin-3-yl)methyl]-2-phenyl-benzoate Openeye Name: methyl 5-[(2-butyl-4-thioxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]-2-phenyl-benzoate CAS Name: 5-[(2-butyl-4-sulfanylidene-5H-imidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 5-[(2-butyl-4-sulfanylidene-5H-imidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzoate Traditional Name: 5-[(2-butyl-4-thioxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]-2-phenyl-benzoic acid methyl ester Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)OC)C(=S)NC=C2

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)OC)C(=S)NC=C2

InChI

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