1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-7-[(E)-2-phenylethenyl]-4-(trifluoromethylsulfanyl)-2,6-diaza-1-azoniabicyclo[3.2.0]hepta-2,4-diene-3-carbonitrile

Systemtic Name: 1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-7-[(E)-2-phenylethenyl]-4-(trifluoromethylsulfanyl)-2,6-diaza-1-azoniabicyclo[3.2.0]hepta-2,4-diene-3-carbonitrile Openeye Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-7-[(E)-styryl]-4-(trifluoromethylsulfanyl)-2,6-diaza-1-azoniabicyclo[3.2.0]hepta-2,4-diene-3-carbonitrile CAS Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-7-[(E)-2-phenylethenyl]-4-(trifluoromethylthio)-2,6-diaza-1-azoniabicyclo[3.2.0]hepta-2,4-diene-3-carbonitrile IUPAC Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-7-[(E)-2-phenylethenyl]-4-(trifluoromethylsulfanyl)-2,6-diaza-1-azoniabicyclo[3.2.0]hepta-2,4-diene-3-carbonitrile Traditional Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-7-[(E)-styryl]-4-(trifluoromethylthio)-2,6-diaza-1-azoniabicyclo[3.2.0]hepta-2,4-diene-3-carbonitrile Formula: C21H11Cl2F6N4S+ MolecularWeight: 536.300259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2NC3=C(C(=N[N+]23C4=C(C=C(C=C4Cl)C(F)(F)F)Cl)C#N)SC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2NC3=C(C(=N[N+]23C4=C(C=C(C=C4Cl)C(F)(F)F)Cl)C#N)SC(F)(F)F

InChI

InChI=1S/C21H11Cl2F6N4S/c22-13-8-12(20(24,25)26)9-14(23)17(13)33-16(7-6-11-4-2-1-3-5-11)31-19(33)18(15(10-30)32-33)34-21(27,28)29/h1-9,16,31H/q+1/b7-6+