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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-1,2,4-triazol-3-yl]ethanamine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-1,2,4-triazol-3-yl]ethanamine CAS Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-1,2,4-triazol-3-yl]ethanamine Traditional Name: 1-[5-(4-tert-butylbenzyl)sulfonyl-4-methyl-1,2,4-triazol-3-yl]ethylamine Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)N

Isomeric SMILES

CC(C1=NN=C(N1C)S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)N

InChI

InChI=1S/C16H24N4O2S/c1-11(17)14-18-19-15(20(14)5)23(21,22)10-12-6-8-13(9-7-12)16(2,3)4/h6-9,11H,10,17H2,1-5H3