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

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C17H17N5O3S2/c1-4-13(26-16-18-9(2)7-10(3)19-16)15(23)21-17-20-12-6-5-11(22(24)25)8-14(12)27-17/h5-8,13H,4H2,1-3H3,(H,20,21,23)