2-[(6-butyl-7-oxidanylidene-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(6-butyl-7-oxidanylidene-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]ethanenitrile Openeye Name: 2-(6-butyl-7-oxo-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl)sulfanylacetonitrile CAS Name: 2-[(6-butyl-7-oxo-3-phenethyl-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-[(6-butyl-7-oxo-3-phenethyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetonitrile Traditional Name: 2-[(6-butyl-7-keto-3-phenethyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl)thio]acetonitrile Formula: C19H20N4OS3 MolecularWeight: 416.5833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC#N)N(C(=S)S2)CCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC#N)N(C(=S)S2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H20N4OS3/c1-2-3-11-23-17(24)15-16(21-18(23)26-13-10-20)22(19(25)27-15)12-9-14-7-5-4-6-8-14/h4-8H,2-3,9,11-13H2,1H3