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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine Traditional Name: [1-[5-[(4-tert-butylbenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]amine Formula: C24H29N5S MolecularWeight: 419.58556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C(CC3=CNC4=CC=CC=C43)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C(CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C24H29N5S/c1-24(2,3)18-11-9-16(10-12-18)15-30-23-28-27-22(29(23)4)20(25)13-17-14-26-21-8-6-5-7-19(17)21/h5-12,14,20,26H,13,15,25H2,1-4H3