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

Systemtic Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C18H19N5OS2 MolecularWeight: 385.50636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H19N5OS2/c1-12-9-13(2)20-17(19-12)25-11-16-21-22-18(23(16)3)26-10-15(24)14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3