N-(4-methylphenyl)-1-prop-2-enyl-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide

Systemtic Name: N-(4-methylphenyl)-1-prop-2-enyl-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide Openeye Name: 1-allyl-N-(p-tolyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3-carboxamide CAS Name: 2-mercapto-N-(4-methylphenyl)-1-prop-2-enyl-3-imidazo[1,2-a]pyridin-4-iumcarboxamide IUPAC Name: N-(4-methylphenyl)-1-prop-2-enyl-2-sulfanylimidazo[1,2-a]pyridin-4-ium-3-carboxamide Traditional Name: 1-allyl-2-mercapto-N-(p-tolyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide Formula: C18H18N3OS+ MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=[N+]32)CC=C)S

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=CC=CC=[N+]32)CC=C)S

InChI

InChI=1S/C18H17N3OS/c1-3-11-21-15-6-4-5-12-20(15)16(18(21)23)17(22)19-14-9-7-13(2)8-10-14/h3-10,12H,1,11H2,2H3,(H-,19,22,23)/p+1