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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H16N6O2S2 MolecularWeight: 388.46724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CSC3=NC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CSC3=NC=CC=N3

InChI

InChI=1S/C16H16N6O2S2/c1-24-12-5-3-11(4-6-12)22-14(10-25-15-18-7-2-8-19-15)20-21-16(22)26-9-13(17)23/h2-8H,9-10H2,1H3,(H2,17,23)