2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)ethanamide

Systemtic Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide CAS Name: 2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)acetamide Formula: C22H26N6OS2 MolecularWeight: 454.61144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H26N6OS2/c1-5-11-28-19(13-30-21-23-15(3)12-16(4)24-21)26-27-22(28)31-14-20(29)25-18-9-7-17(6-2)8-10-18/h5,7-10,12H,1,6,11,13-14H2,2-4H3,(H,25,29)