N-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-2-oxidanylidene-imidazolidine-1-carbothioamide

Systemtic Name: N-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-2-oxidanylidene-imidazolidine-1-carbothioamide Openeye Name: N-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)-2-oxo-imidazolidine-1-carbothioamide CAS Name: N-methyl-3-(1-methyl-5-nitro-2-imidazolyl)-2-oxo-1-imidazolidinecarbothioamide IUPAC Name: N-methyl-3-(1-methyl-5-nitroimidazol-2-yl)-2-oxoimidazolidine-1-carbothioamide Traditional Name: 2-keto-N-methyl-3-(1-methyl-5-nitro-imidazol-2-yl)imidazolidine-1-carbothioamide Formula: C9H12N6O3S MolecularWeight: 284.29498

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(C1=O)C2=NC=C(N2C)[N+](=O)[O-]

Isomeric SMILES

CNC(=S)N1CCN(C1=O)C2=NC=C(N2C)[N+](=O)[O-]

InChI

InChI=1S/C9H12N6O3S/c1-10-8(19)14-4-3-13(9(14)16)7-11-5-6(12(7)2)15(17)18/h5H,3-4H2,1-2H3,(H,10,19)