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

Systemtic Name: 2-[[4-phenethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-phenethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-phenethyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-phenethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-phenethyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H18N6OS2 MolecularWeight: 386.49442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)N)CSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)N)CSC3=NC=CC=N3

InChI

InChI=1S/C17H18N6OS2/c18-14(24)11-26-17-22-21-15(12-25-16-19-8-4-9-20-16)23(17)10-7-13-5-2-1-3-6-13/h1-6,8-9H,7,10-12H2,(H2,18,24)