N,N-dimethyl-4-[[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]aniline

Systemtic Name: N,N-dimethyl-4-[[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]aniline Openeye Name: N,N-dimethyl-4-[[3-(2-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]aniline CAS Name: N,N-dimethyl-4-[[3-(2-pyridinylmethylthio)-1H-1,2,4-triazol-5-yl]methyl]aniline IUPAC Name: N,N-dimethyl-4-[[3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]aniline Traditional Name: dimethyl-[4-[[3-(2-pyridylmethylthio)-1H-1,2,4-triazol-5-yl]methyl]phenyl]amine Formula: C17H19N5S MolecularWeight: 325.43126

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CC=N3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CC=N3

InChI

InChI=1S/C17H19N5S/c1-22(2)15-8-6-13(7-9-15)11-16-19-17(21-20-16)23-12-14-5-3-4-10-18-14/h3-10H,11-12H2,1-2H3,(H,19,20,21)