2-[3-chloranyl-4-(4-ethanoylphenyl)sulfanyl-5-methyl-phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[3-chloranyl-4-(4-ethanoylphenyl)sulfanyl-5-methyl-phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[4-(4-acetylphenyl)sulfanyl-3-chloro-5-methyl-phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[4-[(4-acetylphenyl)thio]-3-chloro-5-methylphenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[4-(4-acetylphenyl)sulfanyl-3-chloro-5-methylphenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[4-[(4-acetylphenyl)thio]-3-chloro-5-methyl-phenyl]-1,2,4-triazine-3,5-quinone Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC2=CC=C(C=C2)C(=O)C)Cl)N3C(=O)NC(=O)C=N3

Isomeric SMILES

CC1=CC(=CC(=C1SC2=CC=C(C=C2)C(=O)C)Cl)N3C(=O)NC(=O)C=N3

InChI

InChI=1S/C18H14ClN3O3S/c1-10-7-13(22-18(25)21-16(24)9-20-22)8-15(19)17(10)26-14-5-3-12(4-6-14)11(2)23/h3-9H,1-2H3,(H,21,24,25)