2-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[5-(4-tert-butylbenzyl)sulfonyl-4-(p-tolyl)-1,2,4-triazol-3-yl]ethylamine Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2S(=O)(=O)CC3=CC=C(C=C3)C(C)(C)C)CCN

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2S(=O)(=O)CC3=CC=C(C=C3)C(C)(C)C)CCN

InChI

InChI=1S/C22H28N4O2S/c1-16-5-11-19(12-6-16)26-20(13-14-23)24-25-21(26)29(27,28)15-17-7-9-18(10-8-17)22(2,3)4/h5-12H,13-15,23H2,1-4H3