2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[3-allyl-2-(3-chloro-4-methyl-anilino)-4-oxo-thiazol-3-ium-5-yl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[2-(3-chloro-4-methylanilino)-4-oxo-3-prop-2-enyl-5-thiazol-3-iumyl]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[2-(3-chloro-4-methylanilino)-4-oxo-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[3-allyl-2-(3-chloro-4-methyl-anilino)-4-keto-2-thiazolin-3-ium-5-yl]-N-(2-nitrophenyl)acetamide Formula: C21H20ClN4O4S+ MolecularWeight: 459.9259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=[N+](C(=O)C(S2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-])CC=C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=[N+](C(=O)C(S2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-])CC=C)Cl

InChI

InChI=1S/C21H19ClN4O4S/c1-3-10-25-20(28)18(31-21(25)23-14-9-8-13(2)15(22)11-14)12-19(27)24-16-6-4-5-7-17(16)26(29)30/h3-9,11,18H,1,10,12H2,2H3,(H,24,27)/p+1