methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitro-benzoate CAS Name: 2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzoic acid methyl ester Formula: C11H9N3O4S3 MolecularWeight: 343.40186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=C(S2)SC

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=C(S2)SC

InChI

InChI=1S/C11H9N3O4S3/c1-18-9(15)7-5-6(14(16)17)3-4-8(7)20-11-13-12-10(19-2)21-11/h3-5H,1-2H3