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

Systemtic Name: 2-ethylsulfanyl-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazole Openeye Name: 2-ethylsulfanyl-5-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1,3,4-thiadiazole CAS Name: 2-(ethylthio)-5-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazole IUPAC Name: 2-ethylsulfanyl-5-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazole Traditional Name: 2-(ethylthio)-5-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1,3,4-thiadiazole Formula: C15H18N4O4S4 MolecularWeight: 446.58782

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4S4/c1-2-24-14-16-17-15(26-14)25-13-7-6-11(10-12(13)19(20)21)27(22,23)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9H2,1H3