4-(4-tert-butylphenyl)sulfonyl-1-(2-ethoxyphenyl)-5-methyl-1,2,3-triazole

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-1-(2-ethoxyphenyl)-5-methyl-1,2,3-triazole Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-1-(2-ethoxyphenyl)-5-methyl-triazole CAS Name: 4-(4-tert-butylphenyl)sulfonyl-1-(2-ethoxyphenyl)-5-methyltriazole IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-1-(2-ethoxyphenyl)-5-methyltriazole Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-5-methyl-1-o-phenetyl-triazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=C(N=N2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=C(N=N2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

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