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

Systemtic Name: N-[2,6-bis(chloranyl)phenyl]-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2,6-dichlorophenyl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,6-dichlorophenyl)-2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,6-dichlorophenyl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2,6-dichlorophenyl)-2-[[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H20Cl2N6OS2 MolecularWeight: 483.4377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2Cl)Cl)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2Cl)Cl)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C19H20Cl2N6OS2/c1-4-27-15(9-29-18-22-11(2)8-12(3)23-18)25-26-19(27)30-10-16(28)24-17-13(20)6-5-7-14(17)21/h5-8H,4,9-10H2,1-3H3,(H,24,28)