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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-(3,4-dimethoxyphenyl)-5-(2-morpholinoethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-(3,4-dimethoxyphenyl)-5-[2-(4-morpholinyl)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine Traditional Name: [3-(3,4-dimethoxyphenyl)-5-(2-morpholinoethylthio)-1,2,4-triazol-4-yl]amine Formula: C16H23N5O3S MolecularWeight: 365.45052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCCN3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCCN3CCOCC3)OC

InChI

InChI=1S/C16H23N5O3S/c1-22-13-4-3-12(11-14(13)23-2)15-18-19-16(21(15)17)25-10-7-20-5-8-24-9-6-20/h3-4,11H,5-10,17H2,1-2H3