3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-imine hydrobromide

Systemtic Name: 3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-imine hydrobromide Openeye Name: 3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-imine hydrobromide CAS Name: 3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-imine hydrobromide IUPAC Name: 3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-imine hydrobromide Traditional Name: [5,5-diketo-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-ylidene]amine hydrobromide Formula: C19H18BrN3O2S3 MolecularWeight: 496.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C5CS(=O)(=O)CC5SC4=N.Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C5CS(=O)(=O)CC5SC4=N.Br

InChI

InChI=1S/C19H17N3O2S3.BrH/c1-11-2-7-14-16(8-11)25-18(21-14)12-3-5-13(6-4-12)22-15-9-27(23,24)10-17(15)26-19(22)20;/h2-8,15,17,20H,9-10H2,1H3;1H