1-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[1-[(4-ethylphenoxy)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]thiourea Formula: C19H18ClFN4OS MolecularWeight: 404.888823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H18ClFN4OS/c1-2-13-3-6-16(7-4-13)26-12-25-11-15(10-22-25)24-19(27)23-14-5-8-18(21)17(20)9-14/h3-11H,2,12H2,1H3,(H2,23,24,27)