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

Systemtic Name: 1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(4-methyl-2-oxo-chromen-7-yl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(4-methyl-2-oxochromen-7-yl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(2-keto-4-methyl-chromen-7-yl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Formula: C18H12F3N3O4S MolecularWeight: 423.36579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H12F3N3O4S/c1-9-6-16(25)28-15-7-10(2-4-12(9)15)22-17(29)23-14-5-3-11(24(26)27)8-13(14)18(19,20)21/h2-8H,1H3,(H2,22,23,29)