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

Systemtic Name: 2-butylsulfanyl-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazole Openeye Name: 2-butylsulfanyl-5-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1,3,4-thiadiazole CAS Name: 2-(butylthio)-5-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazole IUPAC Name: 2-butylsulfanyl-5-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazole Traditional Name: 2-(butylthio)-5-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1,3,4-thiadiazole Formula: C17H22N4O4S4 MolecularWeight: 474.64098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S4/c1-2-3-11-26-16-18-19-17(28-16)27-15-8-7-13(12-14(15)21(22)23)29(24,25)20-9-5-4-6-10-20/h7-8,12H,2-6,9-11H2,1H3