1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]thiourea

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]thiourea Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]thiourea CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]thiourea IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]thiourea Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(4-keto-6-methyl-1H-pyrimidin-2-yl)amino]thiourea Formula: C13H11ClF3N5OS MolecularWeight: 377.77255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)NNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC(=O)N=C(N1)NNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C13H11ClF3N5OS/c1-6-4-10(23)20-11(18-6)21-22-12(24)19-9-5-7(13(15,16)17)2-3-8(9)14/h2-5H,1H3,(H2,19,22,24)(H2,18,20,21,23)