(5E)-1-ethyl-5-(phenylazanylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-ethyl-5-(phenylazanylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-(anilinomethylene)-1-ethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-(anilinomethylidene)-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-(anilinomethylidene)-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-(anilinomethylene)-1-ethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H13N3O2S MolecularWeight: 275.32622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CNC2=CC=CC=C2)C(=O)NC1=S

Isomeric SMILES

CCN1C(=O)/C(=C/NC2=CC=CC=C2)/C(=O)NC1=S

InChI

InChI=1S/C13H13N3O2S/c1-2-16-12(18)10(11(17)15-13(16)19)8-14-9-6-4-3-5-7-9/h3-8,14H,2H2,1H3,(H,15,17,19)/b10-8+