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

Systemtic Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C13H15N5O2S2 MolecularWeight: 337.4205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O2S2/c1-9-15-16-13(22-2)18(9)17-12(21)14-11(19)8-20-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,14,17,19,21)