(8S)-8-(2-chloranyl-6-fluoranyl-phenyl)-6-oxidanylidene-3-(phenylmethyl)-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile

Systemtic Name: (8S)-8-(2-chloranyl-6-fluoranyl-phenyl)-6-oxidanylidene-3-(phenylmethyl)-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Openeye Name: (8S)-3-benzyl-8-(2-chloro-6-fluoro-phenyl)-6-oxo-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile CAS Name: (8S)-8-(2-chloro-6-fluorophenyl)-6-oxo-3-(phenylmethyl)-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile IUPAC Name: (8S)-3-benzyl-8-(2-chloro-6-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Traditional Name: (8S)-3-benzyl-8-(2-chloro-6-fluoro-phenyl)-6-keto-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Formula: C21H18ClFN3OS+ MolecularWeight: 414.903523

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C2N(C1=O)C[NH+](CS2)CC3=CC=CC=C3)C#N)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1[C@@H](C(=C2N(C1=O)C[NH+](CS2)CC3=CC=CC=C3)C#N)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H17ClFN3OS/c22-17-7-4-8-18(23)20(17)15-9-19(27)26-12-25(11-14-5-2-1-3-6-14)13-28-21(26)16(15)10-24/h1-8,15H,9,11-13H2/p+1/t15-/m0/s1