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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-[(4-tert-butylbenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]propylamine Formula: C18H28N4S MolecularWeight: 332.50672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC)SCC2=CC=C(C=C2)C(C)(C)C)N

Isomeric SMILES

CCC(C1=NN=C(N1CC)SCC2=CC=C(C=C2)C(C)(C)C)N

InChI

InChI=1S/C18H28N4S/c1-6-15(19)16-20-21-17(22(16)7-2)23-12-13-8-10-14(11-9-13)18(3,4)5/h8-11,15H,6-7,12,19H2,1-5H3