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

Systemtic Name: 1-[4-(4-phenylmethoxyphenyl)-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-allylsulfonyl-4-(4-benzyloxyphenyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[4-(4-phenylmethoxyphenyl)-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[4-(4-phenylmethoxyphenyl)-5-prop-2-enylsulfonyl-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-allylsulfonyl-4-(4-benzoxyphenyl)-1,2,4-triazol-3-yl]propylamine Formula: C21H24N4O3S MolecularWeight: 412.50526

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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=C)N

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-3-14-29(26,27)21-24-23-20(19(22)4-2)25(21)17-10-12-18(13-11-17)28-15-16-8-6-5-7-9-16/h3,5-13,19H,1,4,14-15,22H2,2H3