3-[2-methylsulfanyl-6-[(5-oxidanylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-methylsulfanyl-6-[(5-oxidanylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-methylsulfanyl-6-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(methylthio)-6-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)thio]-4-pyrimidinyl]thio]-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-methylsulfanyl-6-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[6-[(5-keto-4-phenyl-1H-1,2,4-triazol-3-yl)thio]-2-(methylthio)pyrimidin-4-yl]thio]-4-phenyl-1H-1,2,4-triazol-5-one Formula: C21H16N8O2S3 MolecularWeight: 508.59914

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)SC2=NNC(=O)N2C3=CC=CC=C3)SC4=NNC(=O)N4C5=CC=CC=C5

Isomeric SMILES

CSC1=NC(=CC(=N1)SC2=NNC(=O)N2C3=CC=CC=C3)SC4=NNC(=O)N4C5=CC=CC=C5

InChI

InChI=1S/C21H16N8O2S3/c1-32-17-22-15(33-20-26-24-18(30)28(20)13-8-4-2-5-9-13)12-16(23-17)34-21-27-25-19(31)29(21)14-10-6-3-7-11-14/h2-12H,1H3,(H,24,30)(H,25,31)