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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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