5-[(4-methylphenyl)methyl]-2-(pyridin-2-ylamino)-1,3-thiazol-3-ium-4-one

Systemtic Name: 5-[(4-methylphenyl)methyl]-2-(pyridin-2-ylamino)-1,3-thiazol-3-ium-4-one Openeye Name: 5-(p-tolylmethyl)-2-(2-pyridylamino)thiazol-3-ium-4-one CAS Name: 5-[(4-methylphenyl)methyl]-2-(2-pyridinylamino)-4-thiazol-3-iumone IUPAC Name: 5-[(4-methylphenyl)methyl]-2-(pyridin-2-ylamino)-1,3-thiazol-3-ium-4-one Traditional Name: 5-(4-methylbenzyl)-2-(2-pyridylamino)-2-thiazolin-3-ium-4-one Formula: C16H16N3OS+ MolecularWeight: 298.38274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2C(=O)[NH+]=C(S2)NC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CC2C(=O)[NH+]=C(S2)NC3=CC=CC=N3

InChI

InChI=1S/C16H15N3OS/c1-11-5-7-12(8-6-11)10-13-15(20)19-16(21-13)18-14-4-2-3-9-17-14/h2-9,13H,10H2,1H3,(H,17,18,19,20)/p+1