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

Systemtic Name: 2-methyl-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]propanamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-methyl-propanamide CAS Name: 2-methyl-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-2-methylpropanamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-2-methyl-propionamide Formula: C15H19N5OS2 MolecularWeight: 349.47426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C(C)C)SCC2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C(C)C)SCC2=CC=CC=C2

InChI

InChI=1S/C15H19N5OS2/c1-10(2)13(21)16-14(22)19-20-11(3)17-18-15(20)23-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H2,16,19,21,22)