2-[(2-methylphenyl)amino]-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-[(2-methylphenyl)amino]-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-4-one Openeye Name: 2-(2-methylanilino)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]thiazol-4-one CAS Name: 2-(2-methylanilino)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4-thiazolone IUPAC Name: 2-(2-methylanilino)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazol-4-one Traditional Name: 5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-(o-toluidino)-2-thiazolin-4-one Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)S2

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)S2

InChI

InChI=1S/C18H13N3O5S/c1-10-4-2-3-5-12(10)19-18-20-17(22)16(27-18)7-11-6-14-15(26-9-25-14)8-13(11)21(23)24/h2-8H,9H2,1H3,(H,19,20,22)