3-(3-chloranyl-4-fluoranyl-phenyl)-1,1-dipentyl-thiourea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1,1-dipentyl-thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1,1-dipentyl-thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1,1-dipentylthiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1,1-dipentylthiourea Traditional Name: 1,1-diamyl-3-(3-chloro-4-fluoro-phenyl)thiourea Formula: C17H26ClFN2S MolecularWeight: 344.918143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=S)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CCCCCN(CCCCC)C(=S)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C17H26ClFN2S/c1-3-5-7-11-21(12-8-6-4-2)17(22)20-14-9-10-16(19)15(18)13-14/h9-10,13H,3-8,11-12H2,1-2H3,(H,20,22)