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

Systemtic Name: 3-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-(2-cyanoethyl)-1-phenyl-thiourea Openeye Name: 1-(2-cyanoethyl)-3-[4-(difluoromethylsulfanyl)phenyl]-1-phenyl-thiourea CAS Name: 1-(2-cyanoethyl)-3-[4-(difluoromethylthio)phenyl]-1-phenylthiourea IUPAC Name: 1-(2-cyanoethyl)-3-[4-(difluoromethylsulfanyl)phenyl]-1-phenylthiourea Traditional Name: 1-(2-cyanoethyl)-3-[4-(difluoromethylthio)phenyl]-1-phenyl-thiourea Formula: C17H15F2N3S2 MolecularWeight: 363.447906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=S)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=S)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C17H15F2N3S2/c18-16(19)24-15-9-7-13(8-10-15)21-17(23)22(12-4-11-20)14-5-2-1-3-6-14/h1-3,5-10,16H,4,12H2,(H,21,23)