N-[3-[3-(4-nitrophenyl)sulfonylsulfanyl-1,2,4-triazol-4-yl]phenyl]heptanamide

Systemtic Name: N-[3-[3-(4-nitrophenyl)sulfonylsulfanyl-1,2,4-triazol-4-yl]phenyl]heptanamide Openeye Name: N-[3-[3-(4-nitrophenyl)sulfonylsulfanyl-1,2,4-triazol-4-yl]phenyl]heptanamide CAS Name: N-[3-[3-[(4-nitrophenyl)sulfonylthio]-1,2,4-triazol-4-yl]phenyl]heptanamide IUPAC Name: N-[3-[3-(4-nitrophenyl)sulfonylsulfanyl-1,2,4-triazol-4-yl]phenyl]heptanamide Traditional Name: N-[3-[3-(nosylthio)-1,2,4-triazol-4-yl]phenyl]enanthamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC=CC(=C1)N2C=NN=C2SS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(=O)NC1=CC=CC(=C1)N2C=NN=C2SS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S2/c1-2-3-4-5-9-20(27)23-16-7-6-8-18(14-16)25-15-22-24-21(25)32-33(30,31)19-12-10-17(11-13-19)26(28)29/h6-8,10-15H,2-5,9H2,1H3,(H,23,27)