2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C17H13N5O3S2 MolecularWeight: 399.44682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H13N5O3S2/c1-9-5-10(2)19-16(12(9)7-18)26-8-15(23)21-17-20-13-6-11(22(24)25)3-4-14(13)27-17/h3-6H,8H2,1-2H3,(H,20,21,23)