2-[(2-methylphenyl)amino]-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-[(2-methylphenyl)amino]-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazol-4-one Openeye Name: 2-(2-methylanilino)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylene]thiazol-4-one CAS Name: 2-(2-methylanilino)-5-[[1-(4-nitrophenyl)-2-pyrrolyl]methylidene]-4-thiazolone IUPAC Name: 2-(2-methylanilino)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazol-4-one Traditional Name: 5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylene]-2-(o-toluidino)-2-thiazolin-4-one Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)[N+](=O)[O-])S2

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)[N+](=O)[O-])S2

InChI

InChI=1S/C21H16N4O3S/c1-14-5-2-3-7-18(14)22-21-23-20(26)19(29-21)13-17-6-4-12-24(17)15-8-10-16(11-9-15)25(27)28/h2-13H,1H3,(H,22,23,26)