1-[2-(1,3-benzoxazol-2-ylsulfanyl)phenyl]-1,2,4-triazinane-3,5-dione

Systemtic Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)phenyl]-1,2,4-triazinane-3,5-dione Openeye Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)phenyl]-1,2,4-triazinane-3,5-dione CAS Name: 1-[2-(1,3-benzoxazol-2-ylthio)phenyl]-1,2,4-triazinane-3,5-dione IUPAC Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)phenyl]-1,2,4-triazinane-3,5-dione Traditional Name: 1-[2-(1,3-benzoxazol-2-ylthio)phenyl]-1,2,4-triazinane-3,5-quinone Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=O)NN1C2=CC=CC=C2SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1C(=O)NC(=O)NN1C2=CC=CC=C2SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C16H12N4O3S/c21-14-9-20(19-15(22)18-14)11-6-2-4-8-13(11)24-16-17-10-5-1-3-7-12(10)23-16/h1-8H,9H2,(H2,18,19,21,22)