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

Systemtic Name: 6-[1-(3-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[1-(3-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[[1-(3-chlorophenyl)-3,5-dimethyl-4-pyrazolyl]thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[[1-(3-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]thio]-2H-1,2,4-triazine-3,5-quinone Formula: C14H12ClN5O2S MolecularWeight: 349.79538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)Cl)C)SC3=NNC(=O)NC3=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)Cl)C)SC3=NNC(=O)NC3=O

InChI

InChI=1S/C14H12ClN5O2S/c1-7-11(23-13-12(21)16-14(22)18-17-13)8(2)20(19-7)10-5-3-4-9(15)6-10/h3-6H,1-2H3,(H2,16,18,21,22)