2-(2,4-dinitrophenyl)-5-methyl-1,1-bis(oxidanylidene)-4-phenyl-1,2-thiazol-3-one

Systemtic Name: 2-(2,4-dinitrophenyl)-5-methyl-1,1-bis(oxidanylidene)-4-phenyl-1,2-thiazol-3-one Openeye Name: 2-(2,4-dinitrophenyl)-5-methyl-1,1-dioxo-4-phenyl-isothiazol-3-one CAS Name: 2-(2,4-dinitrophenyl)-5-methyl-1,1-dioxo-4-phenyl-3-isothiazolone IUPAC Name: 2-(2,4-dinitrophenyl)-5-methyl-1,1-dioxo-4-phenyl-1,2-thiazol-3-one Traditional Name: 2-(2,4-dinitrophenyl)-1,1-diketo-5-methyl-4-phenyl-isothiazol-3-one Formula: C16H11N3O7S MolecularWeight: 389.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(S1(=O)=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(S1(=O)=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H11N3O7S/c1-10-15(11-5-3-2-4-6-11)16(20)17(27(10,25)26)13-8-7-12(18(21)22)9-14(13)19(23)24/h2-9H,1H3