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

Systemtic Name: N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]pentanamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]pentanamide CAS Name: N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]pentanamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]valeramide Formula: C16H21N5OS2 MolecularWeight: 363.50084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS2/c1-3-4-10-14(22)17-15(23)20-21-12(2)18-19-16(21)24-11-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H2,17,20,22,23)