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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[2-keto-4-(trifluoromethyl)chromen-7-yl]thiourea Formula: C18H12ClF3N2O2S MolecularWeight: 412.81329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C18H12ClF3N2O2S/c1-9-13(19)3-2-4-14(9)24-17(27)23-10-5-6-11-12(18(20,21)22)8-16(25)26-15(11)7-10/h2-8H,1H3,(H2,23,24,27)