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

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H23N5O4S2 MolecularWeight: 437.53632

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3CC3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3CC3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S2/c1-3-21(4-2)29(26,27)14-9-10-16(15(11-14)23(24)25)28-18-20-19-17(12-5-6-12)22(18)13-7-8-13/h9-13H,3-8H2,1-2H3