2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C15H13N5O3S2 MolecularWeight: 375.42542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C15H13N5O3S2/c1-8-5-9(2)17-14(16-8)24-7-13(21)19-15-18-11-4-3-10(20(22)23)6-12(11)25-15/h3-6H,7H2,1-2H3,(H,18,19,21)