1,1-bis(oxidanylidene)-5-(phenylmethylsulfanyl)-2-propan-2-yl-4H-1,2,4,6-thiatriazin-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-5-(phenylmethylsulfanyl)-2-propan-2-yl-4H-1,2,4,6-thiatriazin-3-one Openeye Name: 5-benzylsulfanyl-2-isopropyl-1,1-dioxo-4H-1,2,4,6-thiatriazin-3-one CAS Name: 1,1-dioxo-5-(phenylmethylthio)-2-propan-2-yl-4H-1,2,4,6-thiatriazin-3-one IUPAC Name: 5-benzylsulfanyl-1,1-dioxo-2-propan-2-yl-4H-1,2,4,6-thiatriazin-3-one Traditional Name: 5-(benzylthio)-2-isopropyl-1,1-diketo-4H-1,2,4,6-thiatriazin-3-one Formula: C12H15N3O3S2 MolecularWeight: 313.3958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)NC(=NS1(=O)=O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)N1C(=O)NC(=NS1(=O)=O)SCC2=CC=CC=C2

InChI

InChI=1S/C12H15N3O3S2/c1-9(2)15-12(16)13-11(14-20(15,17)18)19-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14,16)