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

Systemtic Name: 1-[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine Openeye Name: 1-[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine CAS Name: 1-[4-ethyl-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine IUPAC Name: 1-[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethanamine Traditional Name: [1-[4-ethyl-5-(m-anisylthio)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]amine Formula: C22H25N5OS MolecularWeight: 407.5318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-3-27-21(19(23)12-16-13-24-20-10-5-4-9-18(16)20)25-26-22(27)29-14-15-7-6-8-17(11-15)28-2/h4-11,13,19,24H,3,12,14,23H2,1-2H3