5-(4-methylphenyl)-3-propoxy-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole

Systemtic Name: 5-(4-methylphenyl)-3-propoxy-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole Openeye Name: 3-propoxy-5-(p-tolyl)-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole CAS Name: 5-(4-methylphenyl)-3-propoxy-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole IUPAC Name: 5-(4-methylphenyl)-3-propoxy-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole Traditional Name: 1-mesitylsulfonyl-3-propoxy-5-(p-tolyl)-1,2,4-triazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC=C(C=C2)C)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC=C(C=C2)C)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C21H25N3O3S/c1-6-11-27-21-22-20(18-9-7-14(2)8-10-18)24(23-21)28(25,26)19-16(4)12-15(3)13-17(19)5/h7-10,12-13H,6,11H2,1-5H3