1-(5-chloranyl-2-methoxy-phenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]thiourea IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-[2-keto-4-(trifluoromethyl)chromen-7-yl]thiourea Formula: C18H12ClF3N2O3S MolecularWeight: 428.81269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C18H12ClF3N2O3S/c1-26-14-5-2-9(19)6-13(14)24-17(28)23-10-3-4-11-12(18(20,21)22)8-16(25)27-15(11)7-10/h2-8H,1H3,(H2,23,24,28)