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

Systemtic Name: 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H14N6O4S MolecularWeight: 362.36376

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O4S/c1-2-6-19-13(21)16-17-14(19)25-8-11-15-12(18-24-11)9-4-3-5-10(7-9)20(22)23/h3-5,7H,2,6,8H2,1H3,(H,16,21)