2-[5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[5-(4-ethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[5-(4-ethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[5-(4-ethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C16H13N3OS MolecularWeight: 295.35892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC#N

InChI

InChI=1S/C16H13N3OS/c1-2-11-3-5-12(6-4-11)13-9-21-15-14(13)16(20)19(8-7-17)10-18-15/h3-6,9-10H,2,8H2,1H3