3-phenacylsulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione

Systemtic Name: 3-phenacylsulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione Openeye Name: 3-phenacylsulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione CAS Name: 3-(phenacylthio)-1,2-dihydro-1,2,4-triazine-5,6-dione IUPAC Name: 3-phenacylsulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione Traditional Name: 3-(phenacylthio)-1,2-dihydro-1,2,4-triazine-5,6-quinone Formula: C11H9N3O3S MolecularWeight: 263.27246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=O)NN2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=O)NN2

InChI

InChI=1S/C11H9N3O3S/c15-8(7-4-2-1-3-5-7)6-18-11-12-9(16)10(17)13-14-11/h1-5H,6H2,(H,13,17)(H,12,14,16)