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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-[(4-tert-butylbenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]butylamine Formula: C22H34N4OS MolecularWeight: 402.59656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4OS/c1-5-7-19(23)20-24-25-21(26(20)14-18-8-6-13-27-18)28-15-16-9-11-17(12-10-16)22(2,3)4/h9-12,18-19H,5-8,13-15,23H2,1-4H3