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

Systemtic Name: N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)COC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)COC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O2S2/c1-14-21-22-19(28-13-15-8-4-2-5-9-15)24(14)23-18(27)20-17(25)12-26-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H2,20,23,25,27)