7-azanyl-5-(2-chloranyl-6-fluoranyl-phenyl)-3,5-dihydro-2H-1,4-dithiepine-6-carbonitrile

Systemtic Name: 7-azanyl-5-(2-chloranyl-6-fluoranyl-phenyl)-3,5-dihydro-2H-1,4-dithiepine-6-carbonitrile Openeye Name: 7-amino-5-(2-chloro-6-fluoro-phenyl)-3,5-dihydro-2H-1,4-dithiepine-6-carbonitrile CAS Name: 7-amino-5-(2-chloro-6-fluorophenyl)-3,5-dihydro-2H-1,4-dithiepin-6-carbonitrile IUPAC Name: 7-amino-5-(2-chloro-6-fluorophenyl)-3,5-dihydro-2H-1,4-dithiepine-6-carbonitrile Traditional Name: 7-amino-5-(2-chloro-6-fluoro-phenyl)-3,5-dihydro-2H-1,4-dithiepin-6-carbonitrile Formula: C12H10ClFN2S2 MolecularWeight: 300.802603

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(C(S1)C2=C(C=CC=C2Cl)F)C#N)N

Isomeric SMILES

C1CSC(=C(C(S1)C2=C(C=CC=C2Cl)F)C#N)N

InChI

InChI=1S/C12H10ClFN2S2/c13-8-2-1-3-9(14)10(8)11-7(6-15)12(16)18-5-4-17-11/h1-3,11H,4-5,16H2