4-[3-azanyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-2-methyl-benzenecarbothioamide

Systemtic Name: 4-[3-azanyl-2,6-bis(oxidanylidene)-4-(trifluoromethyl)pyrimidin-1-yl]-2-methyl-benzenecarbothioamide Openeye Name: 4-[3-amino-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-methyl-benzenecarbothioamide CAS Name: 4-[3-amino-2,6-dioxo-4-(trifluoromethyl)-1-pyrimidinyl]-2-methylbenzenecarbothioamide IUPAC Name: 4-[3-amino-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-2-methylbenzenecarbothioamide Traditional Name: 4-[3-amino-2,6-diketo-4-(trifluoromethyl)pyrimidin-1-yl]-2-methyl-thiobenzamide Formula: C13H11F3N4O2S MolecularWeight: 344.31225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C=C(N(C2=O)N)C(F)(F)F)C(=S)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C=C(N(C2=O)N)C(F)(F)F)C(=S)N

InChI

InChI=1S/C13H11F3N4O2S/c1-6-4-7(2-3-8(6)11(17)23)19-10(21)5-9(13(14,15)16)20(18)12(19)22/h2-5H,18H2,1H3,(H2,17,23)