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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-[(4-tert-butylbenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propylamine Formula: C21H32N4OS MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4OS/c1-5-18(22)19-23-24-20(25(19)13-17-7-6-12-26-17)27-14-15-8-10-16(11-9-15)21(2,3)4/h8-11,17-18H,5-7,12-14,22H2,1-4H3