1-[5-ethylsulfonyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]butan-1-amine

Systemtic Name: 1-[5-ethylsulfonyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-ethylsulfonyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-ethylsulfonyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-ethylsulfonyl-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-esyl-4-(4-methylbenzyl)-1,2,4-triazol-3-yl]butylamine Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2=CC=C(C=C2)C)S(=O)(=O)CC)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2=CC=C(C=C2)C)S(=O)(=O)CC)N

InChI

InChI=1S/C16H24N4O2S/c1-4-6-14(17)15-18-19-16(23(21,22)5-2)20(15)11-13-9-7-12(3)8-10-13/h7-10,14H,4-6,11,17H2,1-3H3