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

Systemtic Name: (1S)-3-methyl-1-[4-(4-phenylmethoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: (1S)-1-[5-allylsulfanyl-4-(4-benzyloxyphenyl)-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine CAS Name: (1S)-3-methyl-1-[4-(4-phenylmethoxyphenyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: (1S)-3-methyl-1-[4-(4-phenylmethoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: [(1S)-1-[5-(allylthio)-4-(4-benzoxyphenyl)-1,2,4-triazol-3-yl]-3-methyl-butyl]amine Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC=C)N

InChI

InChI=1S/C23H28N4OS/c1-4-14-29-23-26-25-22(21(24)15-17(2)3)27(23)19-10-12-20(13-11-19)28-16-18-8-6-5-7-9-18/h4-13,17,21H,1,14-16,24H2,2-3H3/t21-/m0/s1