6-methylsulfanyl-3-phenyl-1-propyl-1,3,5-triazinane-2,4-dione

Systemtic Name: 6-methylsulfanyl-3-phenyl-1-propyl-1,3,5-triazinane-2,4-dione Openeye Name: 6-methylsulfanyl-3-phenyl-1-propyl-1,3,5-triazinane-2,4-dione CAS Name: 6-(methylthio)-3-phenyl-1-propyl-1,3,5-triazinane-2,4-dione IUPAC Name: 6-methylsulfanyl-3-phenyl-1-propyl-1,3,5-triazinane-2,4-dione Traditional Name: 6-(methylthio)-3-phenyl-1-propyl-1,3,5-triazinane-2,4-quinone Formula: C13H17N3O2S MolecularWeight: 279.35798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(NC(=O)N(C1=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCN1C(NC(=O)N(C1=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C13H17N3O2S/c1-3-9-15-12(19-2)14-11(17)16(13(15)18)10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3,(H,14,17)