3-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NC(=NO2)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NC(=NO2)CC3=CC=CC=C3

InChI

InChI=1S/C15H17N5O2S/c1-2-8-20-14(21)17-18-15(20)23-10-13-16-12(19-22-13)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,21)