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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

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