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

Systemtic Name: 2-ethylsulfanyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazole Openeye Name: 2-ethylsulfanyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazole CAS Name: 2-(ethylthio)-5-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazole IUPAC Name: 2-ethylsulfanyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazole Traditional Name: 2-(ethylthio)-5-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-1,3,4-thiadiazole Formula: C14H16N4O4S4 MolecularWeight: 432.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CCSC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C14H16N4O4S4/c1-2-23-13-15-16-14(25-13)24-11-6-5-10(18(19)20)9-12(11)26(21,22)17-7-3-4-8-17/h5-6,9H,2-4,7-8H2,1H3