(8S)-8-(3-bromophenyl)-3-(furan-2-ylmethyl)-6-oxidanylidene-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile

Systemtic Name: (8S)-8-(3-bromophenyl)-3-(furan-2-ylmethyl)-6-oxidanylidene-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Openeye Name: (8S)-8-(3-bromophenyl)-3-(2-furylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile CAS Name: (8S)-8-(3-bromophenyl)-3-(2-furanylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile IUPAC Name: (8S)-8-(3-bromophenyl)-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Traditional Name: (8S)-8-(3-bromophenyl)-3-(2-furfuryl)-6-keto-3,4,7,8-tetrahydro-2H-pyrido[2,1-b][1,3,5]thiadiazin-3-ium-9-carbonitrile Formula: C19H17BrN3O2S+ MolecularWeight: 431.32618

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C2N(C1=O)C[NH+](CS2)CC3=CC=CO3)C#N)C4=CC(=CC=C4)Br

Isomeric SMILES

C1[C@H](C(=C2N(C1=O)C[NH+](CS2)CC3=CC=CO3)C#N)C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H16BrN3O2S/c20-14-4-1-3-13(7-14)16-8-18(24)23-11-22(10-15-5-2-6-25-15)12-26-19(23)17(16)9-21/h1-7,16H,8,10-12H2/p+1/t16-/m0/s1