1-(3-methylphenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea

Systemtic Name: 1-(3-methylphenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea Openeye Name: 1-(m-tolyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea CAS Name: 1-(3-methylphenyl)-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]thiourea IUPAC Name: 1-(3-methylphenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea Traditional Name: 1-[2-keto-4-(trifluoromethyl)chromen-7-yl]-3-(m-tolyl)thiourea Formula: C18H13F3N2O2S MolecularWeight: 378.36823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

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