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

Systemtic Name: 1-[5-[(3-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-(m-tolylmethylsulfanyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(3-methylphenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-[(3-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-[(3-methylbenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]butylamine Formula: C19H28N4OS MolecularWeight: 360.51682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4OS/c1-3-6-17(20)18-21-22-19(23(18)12-16-9-5-10-24-16)25-13-15-8-4-7-14(2)11-15/h4,7-8,11,16-17H,3,5-6,9-10,12-13,20H2,1-2H3