2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridin-4-ium

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridin-4-ium Openeye Name: 2-(p-tolylmethylsulfanyl)-1H-imidazo[4,5-b]pyridin-4-ium CAS Name: 2-[(4-methylphenyl)methylthio]-1H-imidazo[4,5-b]pyridin-4-ium IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridin-4-ium Traditional Name: 2-[(4-methylbenzyl)thio]-1H-imidazo[4,5-b]pyridin-4-ium Formula: C14H14N3S+ MolecularWeight: 256.34606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2)C=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2)C=CC=[NH+]3

InChI

InChI=1S/C14H13N3S/c1-10-4-6-11(7-5-10)9-18-14-16-12-3-2-8-15-13(12)17-14/h2-8H,9H2,1H3,(H,15,16,17)/p+1