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4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide

4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name:4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide
Openeye Name:4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide
CAS Name:4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N,N-diethyl-3-nitrobenzenesulfonamide
IUPAC Name:4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitrobenzenesulfonamide
Traditional Name:4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N,N-diethyl-3-nitro-benzenesulfonamide
Formula: C17H23N5O4S2
MolecularWeight: 425.52562
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CCCC3)[N+](=O)[O-]


Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CCCC3)[N+](=O)[O-]


InChI

InChI=1S/C17H23N5O4S2/c1-3-21(4-2)28(25,26)13-9-10-15(14(11-13)22(23)24)27-17-18-16(19-20-17)12-7-5-6-8-12/h9-12H,3-8H2,1-2H3,(H,18,19,20)


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