4-(4-oxidanylidene-3-phenyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile

Systemtic Name: 4-(4-oxidanylidene-3-phenyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Openeye Name: 4-[4-oxo-3-phenyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile CAS Name: 4-[(4-oxo-3-phenyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 4-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[[4-keto-3-phenyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]butyronitrile Formula: C20H15N3OS3 MolecularWeight: 409.5476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCCC#N)SC=C3C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCCC#N)SC=C3C4=CC=CS4

InChI

InChI=1S/C20H15N3OS3/c21-10-4-5-11-26-20-22-18-17(15(13-27-18)16-9-6-12-25-16)19(24)23(20)14-7-2-1-3-8-14/h1-3,6-9,12-13H,4-5,11H2