2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H18N6OS2 MolecularWeight: 386.49442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N)C

InChI

InChI=1S/C17H18N6OS2/c1-11-8-12(2)20-16(19-11)25-10-15-21-22-17(26-9-14(18)24)23(15)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H2,18,24)