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

Systemtic Name: 1-[4-ethyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine Openeye Name: 1-[4-ethyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine CAS Name: 1-[4-ethyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine IUPAC Name: 1-[4-ethyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine Traditional Name: [1-[4-ethyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]amine Formula: C22H25N5S MolecularWeight: 391.5324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5S/c1-3-27-21(19(23)12-17-13-24-20-10-5-4-9-18(17)20)25-26-22(27)28-14-16-8-6-7-15(2)11-16/h4-11,13,19,24H,3,12,14,23H2,1-2H3