1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine Traditional Name: [1-[5-[(4-tert-butylbenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]amine Formula: C25H31N5S MolecularWeight: 433.61214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C(CC3=CNC4=CC=CC=C43)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C(CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C25H31N5S/c1-5-30-23(21(26)14-18-15-27-22-9-7-6-8-20(18)22)28-29-24(30)31-16-17-10-12-19(13-11-17)25(2,3)4/h6-13,15,21,27H,5,14,16,26H2,1-4H3