ethyl 2-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanyl]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[[3,5-bis(oxidanylidene)-2H-1,2,4-triazin-6-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-2-phenyl-acetate CAS Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-2-phenylacetate Traditional Name: 2-[(3,5-diketo-2H-1,2,4-triazin-6-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NNC(=O)NC2=O

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=NNC(=O)NC2=O

InChI

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