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

Systemtic Name: 1-[4-(4-phenylmethoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-allylsulfanyl-4-(4-benzyloxyphenyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[4-(4-phenylmethoxyphenyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[4-(4-phenylmethoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-(allylthio)-4-(4-benzoxyphenyl)-1,2,4-triazol-3-yl]butylamine Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC=C)N

Isomeric SMILES

CCCC(C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC=C)N

InChI

InChI=1S/C22H26N4OS/c1-3-8-20(23)21-24-25-22(28-15-4-2)26(21)18-11-13-19(14-12-18)27-16-17-9-6-5-7-10-17/h4-7,9-14,20H,2-3,8,15-16,23H2,1H3