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

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-1-(3-fluoranyl-4-methyl-phenyl)-5-methyl-1,2,3-triazole Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-1-(3-fluoro-4-methyl-phenyl)-5-methyl-triazole CAS Name: 4-(4-tert-butylphenyl)sulfonyl-1-(3-fluoro-4-methylphenyl)-5-methyltriazole IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-1-(3-fluoro-4-methylphenyl)-5-methyltriazole Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-1-(3-fluoro-4-methyl-phenyl)-5-methyl-triazole Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(N=N2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N=N2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C)F

InChI

InChI=1S/C20H22FN3O2S/c1-13-6-9-16(12-18(13)21)24-14(2)19(22-23-24)27(25,26)17-10-7-15(8-11-17)20(3,4)5/h6-12H,1-5H3