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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=CN=CC=C3)OC

InChI

InChI=1S/C16H17N5O2S/c1-22-13-6-5-12(8-14(13)23-2)15-19-20-16(21(15)17)24-10-11-4-3-7-18-9-11/h3-9H,10,17H2,1-2H3