2-[3,5-dimethyl-4-(3-methyl-4-methylsulfanyl-phenoxy)phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[3,5-dimethyl-4-(3-methyl-4-methylsulfanyl-phenoxy)phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[3,5-dimethyl-4-(3-methyl-4-methylsulfanyl-phenoxy)phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[3,5-dimethyl-4-[3-methyl-4-(methylthio)phenoxy]phenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[3,5-dimethyl-4-(3-methyl-4-methylsulfanylphenoxy)phenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[3,5-dimethyl-4-[3-methyl-4-(methylthio)phenoxy]phenyl]-1,2,4-triazine-3,5-quinone Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)SC)C)C)N3C(=O)NC(=O)C=N3

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)SC)C)C)N3C(=O)NC(=O)C=N3

InChI

InChI=1S/C19H19N3O3S/c1-11-9-15(5-6-16(11)26-4)25-18-12(2)7-14(8-13(18)3)22-19(24)21-17(23)10-20-22/h5-10H,1-4H3,(H,21,23,24)