O-propan-2-yl (4-aminocarbonyl-2-nitro-phenyl)methylsulfanylmethanethioate

Systemtic Name: O-propan-2-yl (4-aminocarbonyl-2-nitro-phenyl)methylsulfanylmethanethioate Openeye Name: O-isopropyl (4-carbamoyl-2-nitro-phenyl)methylsulfanylmethanethioate CAS Name: [(4-carbamoyl-2-nitrophenyl)methylthio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl (4-carbamoyl-2-nitrophenyl)methylsulfanylmethanethioate Traditional Name: [(4-carbamoyl-2-nitro-benzyl)thio]methanethioic acid O-isopropyl ester Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=S)SCC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4S2/c1-7(2)18-12(19)20-6-9-4-3-8(11(13)15)5-10(9)14(16)17/h3-5,7H,6H2,1-2H3,(H2,13,15)