N-ethyl-3-nitro-N-phenyl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide

Systemtic Name: N-ethyl-3-nitro-N-phenyl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Openeye Name: N-ethyl-3-nitro-N-phenyl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide CAS Name: N-ethyl-3-nitro-N-phenyl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]benzenesulfonamide IUPAC Name: N-ethyl-3-nitro-N-phenyl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Traditional Name: N-ethyl-3-nitro-N-phenyl-4-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]benzenesulfonamide Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S2/c1-3-8-18-20-19(22-21-18)29-17-12-11-15(13-16(17)24(25)26)30(27,28)23(4-2)14-9-6-5-7-10-14/h5-7,9-13H,3-4,8H2,1-2H3,(H,20,21,22)