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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine Traditional Name: [1-[5-[(4-tert-butylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]amine Formula: C30H33N5S MolecularWeight: 495.68152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C(CC4=CNC5=CC=CC=C54)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C(CC4=CNC5=CC=CC=C54)N

InChI

InChI=1S/C30H33N5S/c1-20-9-15-24(16-10-20)35-28(26(31)17-22-18-32-27-8-6-5-7-25(22)27)33-34-29(35)36-19-21-11-13-23(14-12-21)30(2,3)4/h5-16,18,26,32H,17,19,31H2,1-4H3