1-(1,3-benzodioxol-5-yl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2,4-bis(oxidanylidene)-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-(1,3-benzodioxol-5-yl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 1-(1,3-benzodioxol-5-yl)-2,4-dioxo-3-(trichloromethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2,4-dioxo-3-(trichloromethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 1-(1,3-benzodioxol-5-yl)-2,4-diketo-3-(trichloromethylthio)pyrimidine-5-carbonitrile Formula: C13H6Cl3N3O4S MolecularWeight: 406.62844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C=C(C(=O)N(C3=O)SC(Cl)(Cl)Cl)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C=C(C(=O)N(C3=O)SC(Cl)(Cl)Cl)C#N

InChI

InChI=1S/C13H6Cl3N3O4S/c14-13(15,16)24-19-11(20)7(4-17)5-18(12(19)21)8-1-2-9-10(3-8)23-6-22-9/h1-3,5H,6H2