3-[(3-methoxyphenoxy)methyl]-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-methoxyphenoxy)methyl]-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3-methoxyphenoxy)methyl]-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3-methoxyphenoxy)methyl]-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-methoxyphenoxy)methyl]-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3-methoxyphenoxy)methyl]-5-(4-pyridylmethylthio)-1,2,4-triazol-4-yl]amine Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CC=NC=C3

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=CC=NC=C3

InChI

InChI=1S/C16H17N5O2S/c1-22-13-3-2-4-14(9-13)23-10-15-19-20-16(21(15)17)24-11-12-5-7-18-8-6-12/h2-9H,10-11,17H2,1H3