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

Systemtic Name: 1-(4-nitrophenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea CAS Name: 1-(4-nitrophenyl)-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea Traditional Name: 1-[2-keto-4-(trifluoromethyl)chromen-7-yl]-3-(4-nitrophenyl)thiourea Formula: C17H10F3N3O4S MolecularWeight: 409.33921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H10F3N3O4S/c18-17(19,20)13-8-15(24)27-14-7-10(3-6-12(13)14)22-16(28)21-9-1-4-11(5-2-9)23(25)26/h1-8H,(H2,21,22,28)