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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NN2)SCC3=CC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NN2)SCC3=CC=CC=N3)OC

InChI

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