3-[2,4-bis(fluoranyl)phenyl]-1,1-bis(2-cyanoethyl)thiourea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1,1-bis(2-cyanoethyl)thiourea Openeye Name: 1,1-bis(2-cyanoethyl)-3-(2,4-difluorophenyl)thiourea CAS Name: 1,1-bis(2-cyanoethyl)-3-(2,4-difluorophenyl)thiourea IUPAC Name: 1,1-bis(2-cyanoethyl)-3-(2,4-difluorophenyl)thiourea Traditional Name: 1,1-bis(2-cyanoethyl)-3-(2,4-difluorophenyl)thiourea Formula: C13H12F2N4S MolecularWeight: 294.322986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)NC(=S)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=C(C=C1F)F)NC(=S)N(CCC#N)CCC#N

InChI

InChI=1S/C13H12F2N4S/c14-10-3-4-12(11(15)9-10)18-13(20)19(7-1-5-16)8-2-6-17/h3-4,9H,1-2,7-8H2,(H,18,20)