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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[2-(2-pyridyl)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3,4-dimethoxyphenyl)-5-[2-(2-pyridinyl)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-(3,4-dimethoxyphenyl)-5-[2-(2-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=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCCC3=CC=CC=N3)OC

InChI

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