2-[3,5-dimethyl-4-(4-methylsulfanylphenoxy)phenyl]-1,2,4-triazinane-3,5-dione

Systemtic Name: 2-[3,5-dimethyl-4-(4-methylsulfanylphenoxy)phenyl]-1,2,4-triazinane-3,5-dione Openeye Name: 2-[3,5-dimethyl-4-(4-methylsulfanylphenoxy)phenyl]-1,2,4-triazinane-3,5-dione CAS Name: 2-[3,5-dimethyl-4-[4-(methylthio)phenoxy]phenyl]-1,2,4-triazinane-3,5-dione IUPAC Name: 2-[3,5-dimethyl-4-(4-methylsulfanylphenoxy)phenyl]-1,2,4-triazinane-3,5-dione Traditional Name: 2-[3,5-dimethyl-4-[4-(methylthio)phenoxy]phenyl]-1,2,4-triazinane-3,5-quinone Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC=C(C=C2)SC)C)N3C(=O)NC(=O)CN3

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC=C(C=C2)SC)C)N3C(=O)NC(=O)CN3

InChI

InChI=1S/C18H19N3O3S/c1-11-8-13(21-18(23)20-16(22)10-19-21)9-12(2)17(11)24-14-4-6-15(25-3)7-5-14/h4-9,19H,10H2,1-3H3,(H,20,22,23)