1-[5-(naphthalen-2-ylmethylsulfanyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine

Systemtic Name: 1-[5-(naphthalen-2-ylmethylsulfanyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-(2-naphthylmethylsulfanyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-(2-naphthalenylmethylthio)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-(naphthalen-2-ylmethylsulfanyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-(2-naphthylmethylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]butylamine Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2CCCO2)SCC3=CC4=CC=CC=C4C=C3)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2CCCO2)SCC3=CC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C22H28N4OS/c1-2-6-20(23)21-24-25-22(26(21)14-19-9-5-12-27-19)28-15-16-10-11-17-7-3-4-8-18(17)13-16/h3-4,7-8,10-11,13,19-20H,2,5-6,9,12,14-15,23H2,1H3