2-[[3-(3,4-dimethylphenyl)-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[[3-(3,4-dimethylphenyl)-7-oxidanylidene-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[[3-(3,4-dimethylphenyl)-7-keto-6-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C25H21N5O3S3 MolecularWeight: 535.66094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)NC4=NOC(=C4)C)C5=CC=CC=C5)SC2=S)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)NC4=NOC(=C4)C)C5=CC=CC=C5)SC2=S)C

InChI

InChI=1S/C25H21N5O3S3/c1-14-9-10-18(11-15(14)2)29-22-21(36-25(29)34)23(32)30(17-7-5-4-6-8-17)24(27-22)35-13-20(31)26-19-12-16(3)33-28-19/h4-12H,13H2,1-3H3,(H,26,28,31)