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

Systemtic Name: 1-[5-ethylsulfonyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-(4-benzyl-5-ethylsulfonyl-1,2,4-triazol-3-yl)butan-1-amine CAS Name: 1-[5-ethylsulfonyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-(4-benzyl-5-ethylsulfonyl-1,2,4-triazol-3-yl)butan-1-amine Traditional Name: 1-(4-benzyl-5-esyl-1,2,4-triazol-3-yl)butylamine Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2S/c1-3-8-13(16)14-17-18-15(22(20,21)4-2)19(14)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11,16H2,1-2H3