N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c1-8-2-3-9-10(4-8)22-13(15-9)16-12(19)6-17-5-11(14-7-17)18(20)21/h2-5,7H,6H2,1H3,(H,15,16,19)