methyl N-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-N'-nitro-N-(phenylcarbonyl)carbamimidothioate

Systemtic Name: methyl N-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-N'-nitro-N-(phenylcarbonyl)carbamimidothioate Openeye Name: N-[(2-chlorothiazol-5-yl)methyl]-N-[(E)-C-methylsulfanyl-N-nitro-carbonimidoyl]benzamide CAS Name: N-benzoyl-N-[(2-chloro-5-thiazolyl)methyl]-N'-nitrocarbamimidothioic acid methyl ester IUPAC Name: methyl N-benzoyl-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-nitrocarbamimidothioate Traditional Name: N-[(2-chlorothiazol-5-yl)methyl]-N-[(E)-C-(methylthio)-N-nitro-carbonimidoyl]benzamide Formula: C13H11ClN4O3S2 MolecularWeight: 370.83444

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N[N+](=O)[O-])N(CC1=CN=C(S1)Cl)C(=O)C2=CC=CC=C2

Isomeric SMILES

CS/C(=N/[N+](=O)[O-])/N(CC1=CN=C(S1)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H11ClN4O3S2/c1-22-13(16-18(20)21)17(8-10-7-15-12(14)23-10)11(19)9-5-3-2-4-6-9/h2-7H,8H2,1H3/b16-13+