(5E)-2-[(2-methylpiperidin-1-yl)methyl]-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5E)-2-[(2-methylpiperidin-1-yl)methyl]-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one Openeye Name: (5E)-2-[(2-methyl-1-piperidyl)methyl]-5-[(3-nitrophenyl)methylene]thiazol-4-one CAS Name: (5E)-2-[(2-methyl-1-piperidinyl)methyl]-5-[(3-nitrophenyl)methylidene]-4-thiazolone IUPAC Name: (5E)-2-[(2-methylpiperidin-1-yl)methyl]-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one Traditional Name: (5E)-2-[(2-methylpiperidino)methyl]-5-(3-nitrobenzylidene)-2-thiazolin-4-one Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=NC(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])S2

Isomeric SMILES

CC1CCCCN1CC2=NC(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/S2

InChI

InChI=1S/C17H19N3O3S/c1-12-5-2-3-8-19(12)11-16-18-17(21)15(24-16)10-13-6-4-7-14(9-13)20(22)23/h4,6-7,9-10,12H,2-3,5,8,11H2,1H3/b15-10+