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

Systemtic Name: 1-[5-(naphthalen-2-ylmethylsulfanyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-(2-naphthylmethylsulfanyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-(2-naphthalenylmethylthio)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-(naphthalen-2-ylmethylsulfanyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-(2-naphthylmethylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propylamine Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c1-2-19(22)20-23-24-21(25(20)13-18-8-5-11-26-18)27-14-15-9-10-16-6-3-4-7-17(16)12-15/h3-4,6-7,9-10,12,18-19H,2,5,8,11,13-14,22H2,1H3