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

Systemtic Name: 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]propanamide CAS Name: 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]propanamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]propionamide Formula: C14H17N5OS2 MolecularWeight: 335.44768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NN1C(=NN=C1SCC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)NC(=S)NN1C(=NN=C1SCC2=CC=CC=C2)C

InChI

InChI=1S/C14H17N5OS2/c1-3-12(20)15-13(21)18-19-10(2)16-17-14(19)22-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,15,18,20,21)