4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(Z)-(5-nitro-2-furyl)methyleneamino]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(Z)-(5-nitro-2-furanyl)methylideneamino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(Z)-(5-nitro-2-furyl)methyleneamino]benzamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N/N=C\C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C19H17N5O4S/c1-12-9-13(2)22-19(21-12)29-11-14-3-5-15(6-4-14)18(25)23-20-10-16-7-8-17(28-16)24(26)27/h3-10H,11H2,1-2H3,(H,23,25)/b20-10-