phenyl N-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-N-[(E)-C-methylsulfanyl-N-nitro-carbonimidoyl]carbamate

Systemtic Name: phenyl N-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-N-[(E)-C-methylsulfanyl-N-nitro-carbonimidoyl]carbamate Openeye Name: phenyl N-[(2-chlorothiazol-5-yl)methyl]-N-[(E)-C-methylsulfanyl-N-nitro-carbonimidoyl]carbamate CAS Name: N-[(2-chloro-5-thiazolyl)methyl]-N-[(E)-(methylthio)-nitroiminomethyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(E)-C-methylsulfanyl-N-nitrocarbonimidoyl]carbamate Traditional Name: N-[(2-chlorothiazol-5-yl)methyl]-N-[(E)-C-(methylthio)-N-nitro-carbonimidoyl]carbamic acid phenyl ester Formula: C13H11ClN4O4S2 MolecularWeight: 386.83384

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N[N+](=O)[O-])N(CC1=CN=C(S1)Cl)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CS/C(=N/[N+](=O)[O-])/N(CC1=CN=C(S1)Cl)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H11ClN4O4S2/c1-23-12(16-18(20)21)17(8-10-7-15-11(14)24-10)13(19)22-9-5-3-2-4-6-9/h2-7H,8H2,1H3/b16-12+