1-(4-tert-butylphenyl)sulfonyl-3-ethoxy-5-(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-3-ethoxy-5-(4-methylphenyl)-1,2,4-triazole Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-3-ethoxy-5-(p-tolyl)-1,2,4-triazole CAS Name: 1-(4-tert-butylphenyl)sulfonyl-3-ethoxy-5-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-3-ethoxy-5-(4-methylphenyl)-1,2,4-triazole Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-3-ethoxy-5-(p-tolyl)-1,2,4-triazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

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