4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H20N6S2 MolecularWeight: 396.5323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C19H20N6S2/c1-4-25-17(12-26-18-21-13(2)9-14(3)22-18)23-24-19(25)27-11-16-7-5-15(10-20)6-8-16/h5-9H,4,11-12H2,1-3H3