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

Systemtic Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H16N6S2 MolecularWeight: 368.47914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6S2/c1-12-10-13(2)20-16(19-12)25-11-15-21-22-17(24-9-8-18)23(15)14-6-4-3-5-7-14/h3-7,10H,9,11H2,1-2H3