N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanamine

Systemtic Name: N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanamine Openeye Name: N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-2-(2H-triazol-4-ylsulfanyl)ethanamine CAS Name: N-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-2-(2H-triazol-4-ylthio)ethanamine IUPAC Name: N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-2-(2H-triazol-4-ylsulfanyl)ethanamine Traditional Name: [1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-[2-(2H-triazol-4-ylthio)ethyl]amine Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CNCCSC4=NNN=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CNCCSC4=NNN=C4

InChI

InChI=1S/C21H22N6OS/c1-27-15-17(13-22-11-12-29-20-14-23-26-24-20)21(25-27)16-7-9-19(10-8-16)28-18-5-3-2-4-6-18/h2-10,14-15,22H,11-13H2,1H3,(H,23,24,26)