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

Systemtic Name: N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]hexanamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]hexanamide CAS Name: N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]hexanamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]hexanamide Formula: C17H23N5OS2 MolecularWeight: 377.52742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5OS2/c1-3-4-6-11-15(23)18-16(24)21-22-13(2)19-20-17(22)25-12-14-9-7-5-8-10-14/h5,7-10H,3-4,6,11-12H2,1-2H3,(H2,18,21,23,24)