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

Systemtic Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C15H19N5O4S2 MolecularWeight: 397.47246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O4S2/c1-3-19(4-2)26(23,24)11-7-8-13(12(9-11)20(21)22)25-15-16-14(17-18-15)10-5-6-10/h7-10H,3-6H2,1-2H3,(H,16,17,18)