1-[4-(oxolan-2-ylmethyl)-5-[(2-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-amine

Systemtic Name: 1-[4-(oxolan-2-ylmethyl)-5-[(2-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-[(2-phenylphenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[4-(2-oxolanylmethyl)-5-[(2-phenylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[4-(oxolan-2-ylmethyl)-5-[(2-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-[(2-phenylbenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propylamine Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2CCCO2)SCC3=CC=CC=C3C4=CC=CC=C4)N

Isomeric SMILES

CCC(C1=NN=C(N1CC2CCCO2)SCC3=CC=CC=C3C4=CC=CC=C4)N

InChI

InChI=1S/C23H28N4OS/c1-2-21(24)22-25-26-23(27(22)15-19-12-8-14-28-19)29-16-18-11-6-7-13-20(18)17-9-4-3-5-10-17/h3-7,9-11,13,19,21H,2,8,12,14-16,24H2,1H3