methyl N-[[4-(methylsulfanylmethylsulfanyl)-2-nitro-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[4-(methylsulfanylmethylsulfanyl)-2-nitro-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-(methylsulfanylmethylsulfanyl)-2-nitro-phenyl]carbamothioyl]carbamate CAS Name: N-[[4-[(methylthio)methylthio]-2-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-(methylsulfanylmethylsulfanyl)-2-nitrophenyl]carbamothioyl]carbamate Traditional Name: N-[[4-[(methylthio)methylthio]-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C11H13N3O4S3 MolecularWeight: 347.43362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SCSC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SCSC)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O4S3/c1-18-11(15)13-10(19)12-8-4-3-7(21-6-20-2)5-9(8)14(16)17/h3-5H,6H2,1-2H3,(H2,12,13,15,19)