3-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]sulfanyl]-1-phenyl-pyrrolidine-2,5-dione

Systemtic Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]sulfanyl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]sulfanyl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]thio]-1-phenylpyrrolidine-2,5-dione IUPAC Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]sulfanyl]-1-phenylpyrrolidine-2,5-dione Traditional Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]thio]-1-phenyl-pyrrolidine-2,5-quinone Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=NC(=CN=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2)SC3=NC(=CN=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H14N4O4S/c25-18-9-17(19(26)24(18)13-4-2-1-3-5-13)29-20-22-14(10-21-23-20)12-6-7-15-16(8-12)28-11-27-15/h1-8,10,17H,9,11H2