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

Systemtic Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 1-[4-isobutyl-5-(m-tolylmethylsulfonyl)-1,2,4-triazol-3-yl]ethanamine CAS Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine Traditional Name: 1-[4-isobutyl-5-(3-methylbenzyl)sulfonyl-1,2,4-triazol-3-yl]ethylamine Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(N2CC(C)C)C(C)N

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(N2CC(C)C)C(C)N

InChI

InChI=1S/C16H24N4O2S/c1-11(2)9-20-15(13(4)17)18-19-16(20)23(21,22)10-14-7-5-6-12(3)8-14/h5-8,11,13H,9-10,17H2,1-4H3