N-cyclohexyl-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: N-cyclohexyl-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: N-cyclohexyl-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: N-cyclohexyl-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: N-cyclohexyl-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: N-cyclohexyl-3,5-bis(4-fluorophenyl)-2-pyrazoline-1-carbothioamide Formula: C22H23F2N3S MolecularWeight: 399.499926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2C(CC(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)NC(=S)N2C(CC(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23F2N3S/c23-17-10-6-15(7-11-17)20-14-21(16-8-12-18(24)13-9-16)27(26-20)22(28)25-19-4-2-1-3-5-19/h6-13,19,21H,1-5,14H2,(H,25,28)