2-[4-[(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(3-ethyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(3-ethyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(3-ethyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]methyl]phenyl]benzonitrile Formula: C22H17N3OS2 MolecularWeight: 403.51988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H17N3OS2/c1-2-25-21(26)20-19(11-12-27-20)24-22(25)28-14-15-7-9-16(10-8-15)18-6-4-3-5-17(18)13-23/h3-12H,2,14H2,1H3