2-(2-methylphenoxy)-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(2-methylphenoxy)-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]ethanamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide CAS Name: 2-(2-methylphenoxy)-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2-(2-methylphenoxy)acetamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NN2C(=NN=C2SCC3=CC=CC=C3)C

InChI

InChI=1S/C20H21N5O2S2/c1-14-8-6-7-11-17(14)27-12-18(26)21-19(28)24-25-15(2)22-23-20(25)29-13-16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3,(H2,21,24,26,28)