1-[5-ethylsulfonyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]propan-1-amine

Systemtic Name: 1-[5-ethylsulfonyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[4-(4-benzyloxyphenyl)-5-ethylsulfonyl-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-ethylsulfonyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-ethylsulfonyl-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[4-(4-benzoxyphenyl)-5-esyl-1,2,4-triazol-3-yl]propylamine Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)CC)N

Isomeric SMILES

CCC(C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)CC)N

InChI

InChI=1S/C20H24N4O3S/c1-3-18(21)19-22-23-20(28(25,26)4-2)24(19)16-10-12-17(13-11-16)27-14-15-8-6-5-7-9-15/h5-13,18H,3-4,14,21H2,1-2H3