N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide

Systemtic Name: N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide Openeye Name: N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide CAS Name: N-(4-butoxyphenyl)-2-mercapto-1-(4-methoxyphenyl)-3-imidazo[1,2-a]pyridin-4-iumcarboxamide IUPAC Name: N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-2-sulfanylimidazo[1,2-a]pyridin-4-ium-3-carboxamide Traditional Name: N-(4-butoxyphenyl)-2-mercapto-1-(4-methoxyphenyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide Formula: C25H26N3O3S+ MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=[N+]32)C4=CC=C(C=C4)OC)S

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=[N+]32)C4=CC=C(C=C4)OC)S

InChI

InChI=1S/C25H25N3O3S/c1-3-4-17-31-21-12-8-18(9-13-21)26-24(29)23-25(32)28(22-7-5-6-16-27(22)23)19-10-14-20(30-2)15-11-19/h5-16H,3-4,17H2,1-2H3,(H-,26,29,32)/p+1