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

Systemtic Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C12H14N6S2 MolecularWeight: 306.40976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2C)SCC#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2C)SCC#N)C

InChI

InChI=1S/C12H14N6S2/c1-8-6-9(2)15-11(14-8)20-7-10-16-17-12(18(10)3)19-5-4-13/h6H,5,7H2,1-3H3