1-(3-chloranyl-2-methyl-phenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[1-(4-fluorobenzyl)pyrazol-4-yl]thiourea Formula: C18H16ClFN4S MolecularWeight: 374.862843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16ClFN4S/c1-12-16(19)3-2-4-17(12)23-18(25)22-15-9-21-24(11-15)10-13-5-7-14(20)8-6-13/h2-9,11H,10H2,1H3,(H2,22,23,25)