2-methylsulfanyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-methylsulfanyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazole Openeye Name: 2-methylsulfanyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazole CAS Name: 2-(methylthio)-5-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazole IUPAC Name: 2-methylsulfanyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazole Traditional Name: 2-(methylthio)-5-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-1,3,4-thiadiazole Formula: C13H14N4O4S4 MolecularWeight: 418.53466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CSC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C13H14N4O4S4/c1-22-12-14-15-13(24-12)23-10-5-4-9(17(18)19)8-11(10)25(20,21)16-6-2-3-7-16/h4-5,8H,2-3,6-7H2,1H3