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

Systemtic Name: N,N-diethyl-3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-benzenesulfonamide Formula: C15H21N5O4S2 MolecularWeight: 399.48834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O4S2/c1-5-19(6-2)26(23,24)11-7-8-13(12(9-11)20(21)22)25-15-16-14(10(3)4)17-18-15/h7-10H,5-6H2,1-4H3,(H,16,17,18)