3-(3,4-dimethoxyphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[2-(4-pyridyl)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3,4-dimethoxyphenyl)-5-(2-pyridin-4-ylethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-(3,4-dimethoxyphenyl)-5-[2-(4-pyridyl)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCCC3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCCC3=CC=NC=C3)OC

InChI

InChI=1S/C17H19N5O2S/c1-23-14-4-3-13(11-15(14)24-2)16-20-21-17(22(16)18)25-10-7-12-5-8-19-9-6-12/h3-6,8-9,11H,7,10,18H2,1-2H3