3-butoxy-5-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole

Systemtic Name: 3-butoxy-5-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole Openeye Name: 3-butoxy-5-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole CAS Name: 3-butoxy-5-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole IUPAC Name: 3-butoxy-5-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole Traditional Name: 3-butoxy-1-mesitylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)OC)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)OC)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C22H27N3O4S/c1-6-7-12-29-22-23-21(18-8-10-19(28-5)11-9-18)25(24-22)30(26,27)20-16(3)13-15(2)14-17(20)4/h8-11,13-14H,6-7,12H2,1-5H3