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

Systemtic Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4S2/c1-3-24(4-2)32(29,30)17-12-13-19(18(14-17)26(27)28)31-21-23-22-20(15-10-11-15)25(21)16-8-6-5-7-9-16/h5-9,12-15H,3-4,10-11H2,1-2H3