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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC(=N2)NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC(=N2)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

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