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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-2H-1,2,4-triazin-5-one Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-2H-1,2,4-triazin-5-one CAS Name: 3-[(4-tert-butylphenyl)methylthio]-2H-1,2,4-triazin-5-one IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-2H-1,2,4-triazin-5-one Traditional Name: 3-[(4-tert-butylbenzyl)thio]-2H-1,2,4-triazin-5-one Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=O)C=NN2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=O)C=NN2

InChI

InChI=1S/C14H17N3OS/c1-14(2,3)11-6-4-10(5-7-11)9-19-13-16-12(18)8-15-17-13/h4-8H,9H2,1-3H3,(H,16,17,18)