N-[(E)-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]methylideneamino]pyridine-4-carboxamide

Systemtic Name: N-[(E)-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]methylideneamino]pyridine-4-carboxamide Openeye Name: N-[(E)-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]methyleneamino]pyridine-4-carboxamide CAS Name: N-[(E)-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-5-nitrophenyl]methylideneamino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitrophenyl]methylideneamino]pyridine-4-carboxamide Traditional Name: N-[(E)-[2-[(4,6-dimethylpyrimidin-2-yl)thio]-5-nitro-benzylidene]amino]isonicotinamide Formula: C19H16N6O3S MolecularWeight: 408.43374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])/C=N/NC(=O)C3=CC=NC=C3)C

InChI

InChI=1S/C19H16N6O3S/c1-12-9-13(2)23-19(22-12)29-17-4-3-16(25(27)28)10-15(17)11-21-24-18(26)14-5-7-20-8-6-14/h3-11H,1-2H3,(H,24,26)/b21-11+