(6E)-5-azanylidene-3-(2-methylpropylsulfonyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Systemtic Name: (6E)-5-azanylidene-3-(2-methylpropylsulfonyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Openeye Name: (6E)-5-imino-3-isobutylsulfonyl-6-[(6-phenylimidazo[2,1-b]thiazol-5-yl)methylene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one CAS Name: (6E)-5-imino-3-(2-methylpropylsulfonyl)-6-[(6-phenyl-5-imidazo[2,1-b]thiazolyl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one IUPAC Name: (6E)-5-imino-3-(2-methylpropylsulfonyl)-6-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Traditional Name: (6E)-5-imino-3-isobutylsulfonyl-6-[(6-phenylimidazo[2,1-b]thiazol-5-yl)methylene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Formula: C21H18N6O3S3 MolecularWeight: 498.60102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=CC3=C(N=C4N3C=CS4)C5=CC=CC=C5)C(=N)N21

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/C3=C(N=C4N3C=CS4)C5=CC=CC=C5)/C(=N)N21

InChI

InChI=1S/C21H18N6O3S3/c1-12(2)11-33(29,30)21-25-32-20-24-18(28)14(17(22)27(20)21)10-15-16(13-6-4-3-5-7-13)23-19-26(15)8-9-31-19/h3-10,12,22H,11H2,1-2H3/b14-10+,22-17?