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

Systemtic Name: 3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-p-cumenyl-1,2,4-oxadiazol-5-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2S/c1-4-9-22-16(23)19-20-17(22)25-10-14-18-15(21-24-14)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,19,23)