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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-isobutyl-1,2,4-triazol-3-yl]ethanamine CAS Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine Traditional Name: 1-[5-(4-tert-butylbenzyl)sulfonyl-4-isobutyl-1,2,4-triazol-3-yl]ethylamine Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)C(C)N

Isomeric SMILES

CC(C)CN1C(=NN=C1S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)C(C)N

InChI

InChI=1S/C19H30N4O2S/c1-13(2)11-23-17(14(3)20)21-22-18(23)26(24,25)12-15-7-9-16(10-8-15)19(4,5)6/h7-10,13-14H,11-12,20H2,1-6H3