2-[(4-chloranyl-3-methyl-phenyl)amino]-5-(pyridin-1-ium-3-ylmethylidene)-1,3-thiazol-4-one

Systemtic Name: 2-[(4-chloranyl-3-methyl-phenyl)amino]-5-(pyridin-1-ium-3-ylmethylidene)-1,3-thiazol-4-one Openeye Name: 2-(4-chloro-3-methyl-anilino)-5-(pyridin-1-ium-3-ylmethylene)thiazol-4-one CAS Name: 2-(4-chloro-3-methylanilino)-5-(3-pyridin-1-iumylmethylidene)-4-thiazolone IUPAC Name: 2-(4-chloro-3-methylanilino)-5-(pyridin-1-ium-3-ylmethylidene)-1,3-thiazol-4-one Traditional Name: 2-(4-chloro-3-methyl-anilino)-5-(pyridin-1-ium-3-ylmethylene)-2-thiazolin-4-one Formula: C16H13ClN3OS+ MolecularWeight: 330.81192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=O)C(=CC3=C[NH+]=CC=C3)S2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=O)C(=CC3=C[NH+]=CC=C3)S2)Cl

InChI

InChI=1S/C16H12ClN3OS/c1-10-7-12(4-5-13(10)17)19-16-20-15(21)14(22-16)8-11-3-2-6-18-9-11/h2-9H,1H3,(H,19,20,21)/p+1