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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C14H19N3OS/c1-4-7-17-13(18)15-16-14(17)19-9-12-8-10(2)5-6-11(12)3/h5-6,8H,4,7,9H2,1-3H3,(H,15,18)