4-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-(3-allyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylethoxy]benzonitrile CAS Name: 4-[2-[(4-oxo-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[(3-allyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]ethoxy]benzonitrile Formula: C18H15N3O2S2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CS2)N=C1SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CS2)N=C1SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15N3O2S2/c1-2-8-21-17(22)16-15(7-10-24-16)20-18(21)25-11-9-23-14-5-3-13(12-19)4-6-14/h2-7,10H,1,8-9,11H2