N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(6-keto-1H-pyrimidin-2-yl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C13H9N5O4S2 MolecularWeight: 363.37166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=O)CSC3=NC=CC(=O)N3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=O)CSC3=NC=CC(=O)N3

InChI

InChI=1S/C13H9N5O4S2/c19-10-3-4-14-12(16-10)23-6-11(20)17-13-15-8-5-7(18(21)22)1-2-9(8)24-13/h1-5H,6H2,(H,14,16,19)(H,15,17,20)