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

Systemtic Name: N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]butanamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]butanamide CAS Name: N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]butanamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]butyramide Formula: C15H19N5OS2 MolecularWeight: 349.47426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5OS2/c1-3-7-13(21)16-14(22)19-20-11(2)17-18-15(20)23-10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H2,16,19,21,22)