2-[[4-(4-ethoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-p-phenetyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H18N6O2S2 MolecularWeight: 402.49382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CSC3=NC=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CSC3=NC=CC=N3

InChI

InChI=1S/C17H18N6O2S2/c1-2-25-13-6-4-12(5-7-13)23-15(11-26-16-19-8-3-9-20-16)21-22-17(23)27-10-14(18)24/h3-9H,2,10-11H2,1H3,(H2,18,24)