1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-1-(4-fluorophenyl)propylideneamino]thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(Z)-1-(4-fluorophenyl)propylideneamino]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(Z)-1-(4-fluorophenyl)propylideneamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(Z)-1-(4-fluorophenyl)propylideneamino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-1-(4-fluorophenyl)propylideneamino]thiourea Traditional Name: 1-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC/C(=N/NC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)/C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN5OS/c1-4-18(15-10-12-16(22)13-11-15)24-25-21(29)23-19-14(2)26(3)27(20(19)28)17-8-6-5-7-9-17/h5-13H,4H2,1-3H3,(H2,23,25,29)/b24-18-