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

Systemtic Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-benzyloxyphenyl)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-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: 2-[[4-allyl-5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1,2,4-triazol-3-yl]thio]-N-(4-benzoxyphenyl)acetamide Formula: C27H28N6O2S2 MolecularWeight: 532.68022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N6O2S2/c1-4-14-33-24(17-36-26-28-19(2)15-20(3)29-26)31-32-27(33)37-18-25(34)30-22-10-12-23(13-11-22)35-16-21-8-6-5-7-9-21/h4-13,15H,1,14,16-18H2,2-3H3,(H,30,34)