1-(3,5-dimethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[1-(4-fluorobenzyl)pyrazol-3-yl]thiourea Formula: C19H19FN4S MolecularWeight: 354.444363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H19FN4S/c1-13-9-14(2)11-17(10-13)21-19(25)22-18-7-8-24(23-18)12-15-3-5-16(20)6-4-15/h3-11H,12H2,1-2H3,(H2,21,22,23,25)