4-[(6-ethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(6-ethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(6-ethyl-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C16H13N3OS2 MolecularWeight: 327.42392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(NC2=O)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC2=C(S1)N=C(NC2=O)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H13N3OS2/c1-2-12-7-13-14(20)18-16(19-15(13)22-12)21-9-11-5-3-10(8-17)4-6-11/h3-7H,2,9H2,1H3,(H,18,19,20)