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

Systemtic Name: 3-[(4-propan-2-ylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-isopropylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-propan-2-ylphenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-propan-2-ylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-isopropylbenzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H21N3OS MolecularWeight: 291.41174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3OS/c1-4-9-18-14(19)16-17-15(18)20-10-12-5-7-13(8-6-12)11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)