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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS/c1-5-10-19-14(20)17-18-15(19)21-11-12-6-8-13(9-7-12)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,17,20)