2-[(3-phenyl-5-propyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(3-phenyl-5-propyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanoate Openeye Name: 2-(3-phenyl-5-propyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(3-phenyl-5-propyl-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinyl)thio]acetate IUPAC Name: 2-[(3-phenyl-5-propyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetate Traditional Name: 2-[(3-phenyl-5-propyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-yl)thio]acetate Formula: C16H14N3O2S3- MolecularWeight: 376.49626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=N1)SCC(=O)[O-])SC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CCCC1=NC2=C(C(=N1)SCC(=O)[O-])SC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S3/c1-2-6-11-17-14-13(15(18-11)23-9-12(20)21)24-16(22)19(14)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,20,21)/p-1