1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiourea Openeye Name: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-3-(p-tolyl)thiourea CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-3-(p-tolyl)thiourea Formula: C18H16ClFN4S MolecularWeight: 374.862843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F

InChI

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