5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-fluorophenyl)-3-(p-tolyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-fluorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-fluorophenyl)-5-(p-tolyl)-2-pyrazoline-1-carbothioamide Formula: C17H16FN3S MolecularWeight: 313.392443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=S)N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=S)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3S/c1-11-2-4-13(5-3-11)16-10-15(20-21(16)17(19)22)12-6-8-14(18)9-7-12/h2-9,16H,10H2,1H3,(H2,19,22)