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

Systemtic Name: 1-(4-ethoxyphenyl)-3-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea CAS Name: 1-(4-ethoxyphenyl)-3-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea Traditional Name: 1-[1-(3-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-p-phenetyl-thiourea Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H23FN4OS/c1-4-27-19-10-8-18(9-11-19)23-21(28)24-20-14(2)25-26(15(20)3)13-16-6-5-7-17(22)12-16/h5-12H,4,13H2,1-3H3,(H2,23,24,28)