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

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]butanamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)butanamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]butanamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)butanamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]butyramide Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4OS/c1-3-7-13(19)17-18-11(2)15-16-14(18)20-10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,17,19)