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

Systemtic Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-2-phenylacetamide Traditional Name: N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-2-phenyl-acetamide Formula: C13H15N5OS2 MolecularWeight: 321.4211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)CC2=CC=CC=C2)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)CC2=CC=CC=C2)SC

InChI

InChI=1S/C13H15N5OS2/c1-9-15-16-13(21-2)18(9)17-12(20)14-11(19)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,14,17,19,20)