1-(2-methylphenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-6-yl]thiourea Openeye Name: 1-(o-tolyl)-3-[2-oxo-4-(trifluoromethyl)chromen-6-yl]thiourea CAS Name: 1-(2-methylphenyl)-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-6-yl]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-6-yl]thiourea Traditional Name: 1-[2-keto-4-(trifluoromethyl)chromen-6-yl]-3-(o-tolyl)thiourea Formula: C18H13F3N2O2S MolecularWeight: 378.36823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C18H13F3N2O2S/c1-10-4-2-3-5-14(10)23-17(26)22-11-6-7-15-12(8-11)13(18(19,20)21)9-16(24)25-15/h2-9H,1H3,(H2,22,23,26)