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

Systemtic Name: 4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-allyl-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-allyl-5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H20N6S2 MolecularWeight: 408.543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H20N6S2/c1-4-9-26-18(13-27-19-22-14(2)10-15(3)23-19)24-25-20(26)28-12-17-7-5-16(11-21)6-8-17/h4-8,10H,1,9,12-13H2,2-3H3