2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-4-(4-nitrophenyl)pyrimidine

Systemtic Name: 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-4-(4-nitrophenyl)pyrimidine Openeye Name: 2-(4,4-difluorobut-3-enylsulfanyl)-4-(4-nitrophenyl)pyrimidine CAS Name: 2-(4,4-difluorobut-3-enylthio)-4-(4-nitrophenyl)pyrimidine IUPAC Name: 2-(4,4-difluorobut-3-enylsulfanyl)-4-(4-nitrophenyl)pyrimidine Traditional Name: 2-(4,4-difluorobut-3-enylthio)-4-(4-nitrophenyl)pyrimidine Formula: C14H11F2N3O2S MolecularWeight: 323.317846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)SCCC=C(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)SCCC=C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H11F2N3O2S/c15-13(16)2-1-9-22-14-17-8-7-12(18-14)10-3-5-11(6-4-10)19(20)21/h2-8H,1,9H2