1-(2-fluorophenyl)-3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]thiourea

Systemtic Name: 1-(2-fluorophenyl)-3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-(2-fluorophenyl)-3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-(2-fluorophenyl)-3-[(E)-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-(2-fluorophenyl)-3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-(2-fluorophenyl)-3-[(E)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]thiourea Formula: C22H23FN6S MolecularWeight: 422.521623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=S)NC2=CC=CC=C2F)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=S)NC2=CC=CC=C2F)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23FN6S/c1-16-18(15-24-26-22(30)25-20-12-6-5-11-19(20)23)21(28-13-7-8-14-28)29(27-16)17-9-3-2-4-10-17/h2-6,9-12,15H,7-8,13-14H2,1H3,(H2,25,26,30)/b24-15+