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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl

InChI

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