3-[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(2,5-diethylphenyl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(2,5-diethylphenyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(2,5-diethylphenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(2,5-diethylphenyl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=C(C=CC(=C2)CC)CC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=C(C=CC(=C2)CC)CC

InChI

InChI=1S/C17H23N3O2S/c1-4-9-20-16(22)18-19-17(20)23-11-15(21)14-10-12(5-2)7-8-13(14)6-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,22)