6-[[2-(3-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]sulfanyl]-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[[2-(3-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]sulfanyl]-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]sulfanyl]-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]sulfanyl]-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[[1-(3-chlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]thio]-2H-1,2,4-triazine-3,5-quinone Formula: C13H10ClN5O3S MolecularWeight: 351.7682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)SC3=NNC(=O)NC3=O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)SC3=NNC(=O)NC3=O

InChI

InChI=1S/C13H10ClN5O3S/c1-6-9(23-11-10(20)15-13(22)17-16-11)12(21)19(18-6)8-4-2-3-7(14)5-8/h2-5,18H,1H3,(H2,15,17,20,22)