1-[4-[2-(4-methylsulfonylphenyl)sulfonylphenyl]tridecyl]-1,2,4-triazole

Systemtic Name: 1-[4-[2-(4-methylsulfonylphenyl)sulfonylphenyl]tridecyl]-1,2,4-triazole Openeye Name: 1-[4-[2-(4-methylsulfonylphenyl)sulfonylphenyl]tridecyl]-1,2,4-triazole CAS Name: 1-[4-[2-(4-methylsulfonylphenyl)sulfonylphenyl]tridecyl]-1,2,4-triazole IUPAC Name: 1-[4-[2-(4-methylsulfonylphenyl)sulfonylphenyl]tridecyl]-1,2,4-triazole Traditional Name: 1-[4-[2-(4-mesylphenyl)sulfonylphenyl]tridecyl]-1,2,4-triazole Formula: C28H39N3O4S2 MolecularWeight: 545.75696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCN1C=NC=N1)C2=CC=CC=C2S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCCC(CCCN1C=NC=N1)C2=CC=CC=C2S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C28H39N3O4S2/c1-3-4-5-6-7-8-9-13-24(14-12-21-31-23-29-22-30-31)27-15-10-11-16-28(27)37(34,35)26-19-17-25(18-20-26)36(2,32)33/h10-11,15-20,22-24H,3-9,12-14,21H2,1-2H3