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

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C13H11N5O3S2 MolecularWeight: 349.38814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S2/c1-17-5-4-14-13(17)22-7-11(19)16-12-15-9-3-2-8(18(20)21)6-10(9)23-12/h2-6H,7H2,1H3,(H,15,16,19)