1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[1-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[1-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[1-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[1-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[1-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-[1-(3-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C20H20FN5O2S MolecularWeight: 413.468503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=C3C=C(C=CC3=O)F)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=C3C=C(C=CC3=O)F)C

InChI

InChI=1S/C20H20FN5O2S/c1-12(16-11-14(21)9-10-17(16)27)23-24-20(29)22-18-13(2)25(3)26(19(18)28)15-7-5-4-6-8-15/h4-11,23H,1-3H3,(H2,22,24,29)