4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C16H22N4O4S4 MolecularWeight: 462.63028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S4/c1-4-7-10-25-15-17-18-16(27-15)26-14-9-8-12(11-13(14)20(21)22)28(23,24)19(5-2)6-3/h8-9,11H,4-7,10H2,1-3H3