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

Systemtic Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H22N6OS2 MolecularWeight: 414.54758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N)C

InChI

InChI=1S/C19H22N6OS2/c1-13-10-14(2)22-18(21-13)27-12-17-23-24-19(28-11-16(20)26)25(17)9-8-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3,(H2,20,26)