1-butyl-3-[(Z)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-(2-chloro-6-fluoro-phenyl)methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-(2-chloro-6-fluoro-benzylidene)amino]thiourea Formula: C12H15ClFN3S MolecularWeight: 287.784003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C12H15ClFN3S/c1-2-3-7-15-12(18)17-16-8-9-10(13)5-4-6-11(9)14/h4-6,8H,2-3,7H2,1H3,(H2,15,17,18)/b16-8-