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

Systemtic Name: N-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanamine Openeye Name: N-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-2-(2H-triazol-4-ylsulfanyl)ethanamine CAS Name: N-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-(2H-triazol-4-ylthio)ethanamine IUPAC Name: N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-(2H-triazol-4-ylsulfanyl)ethanamine Traditional Name: [3-(3-methoxyphenyl)-1-phenyl-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:

COC1=CC=CC(=C1)C2=NN(C=C2CNCCSC3=NNN=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2CNCCSC3=NNN=C3)C4=CC=CC=C4

InChI

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