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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3C(F)(F)F

InChI

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