6-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[[2-(4-ethoxyphenyl)-2-oxoethyl]thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[(2-keto-2-p-phenetyl-ethyl)thio]-2H-1,2,4-triazine-3,5-quinone Formula: C13H13N3O4S MolecularWeight: 307.32502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)NC2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)NC2=O

InChI

InChI=1S/C13H13N3O4S/c1-2-20-9-5-3-8(4-6-9)10(17)7-21-12-11(18)14-13(19)16-15-12/h3-6H,2,7H2,1H3,(H2,14,16,18,19)