1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]thiourea Openeye Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(3-chloro-4-fluoro-phenyl)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(1-benzyl-4-chloropyrazol-3-yl)-3-(3-chloro-4-fluorophenyl)thiourea Traditional Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(3-chloro-4-fluoro-phenyl)thiourea Formula: C17H13Cl2FN4S MolecularWeight: 395.281323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NC3=CC(=C(C=C3)F)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NC3=CC(=C(C=C3)F)Cl)Cl

InChI

InChI=1S/C17H13Cl2FN4S/c18-13-8-12(6-7-15(13)20)21-17(25)22-16-14(19)10-24(23-16)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H2,21,22,23,25)