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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)CC)SCC2=CC=CC=C2

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)CC)SCC2=CC=CC=C2

InChI

InChI=1S/C15H19N5OS2/c1-3-12-17-18-15(23-10-11-8-6-5-7-9-11)20(12)19-14(22)16-13(21)4-2/h5-9H,3-4,10H2,1-2H3,(H2,16,19,21,22)