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

Systemtic Name: 1-[5-[(3-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-(m-tolylmethylsulfanyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(3-methylphenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-[(3-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-[(3-methylbenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propylamine Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4OS/c1-3-16(19)17-20-21-18(22(17)11-15-8-5-9-23-15)24-12-14-7-4-6-13(2)10-14/h4,6-7,10,15-16H,3,5,8-9,11-12,19H2,1-2H3