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

Systemtic Name: N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]ethanamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]acetamide CAS Name: N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]acetamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]acetamide Formula: C14H17N5OS2 MolecularWeight: 335.44768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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