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

Systemtic Name: 2-[2-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]-N-phenyl-ethanamide Openeye Name: 2-[3-allyl-2-(2-methyl-5-nitro-anilino)-4-oxo-thiazol-3-ium-5-yl]-N-phenyl-acetamide CAS Name: 2-[2-(2-methyl-5-nitroanilino)-4-oxo-3-prop-2-enyl-5-thiazol-3-iumyl]-N-phenylacetamide IUPAC Name: 2-[2-(2-methyl-5-nitroanilino)-4-oxo-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]-N-phenylacetamide Traditional Name: 2-[3-allyl-4-keto-2-(2-methyl-5-nitro-anilino)-2-thiazolin-3-ium-5-yl]-N-phenyl-acetamide Formula: C21H21N4O4S+ MolecularWeight: 425.48084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c1-3-11-24-20(27)18(13-19(26)22-15-7-5-4-6-8-15)30-21(24)23-17-12-16(25(28)29)10-9-14(17)2/h3-10,12,18H,1,11,13H2,2H3,(H,22,26)/p+1