2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide Formula: C16H15N5O5S MolecularWeight: 389.3858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

InChI

InChI=1S/C16H15N5O5S/c1-9-3-10(2)19-16(18-9)27-7-15(22)20-17-6-11-4-13-14(26-8-25-13)5-12(11)21(23)24/h3-6H,7-8H2,1-2H3,(H,20,22)/b17-6+