2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C20H13N3OS2 MolecularWeight: 375.46672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C20H13N3OS2/c21-10-14-8-4-5-9-15(14)11-26-20-22-18(24)17-16(12-25-19(17)23-20)13-6-2-1-3-7-13/h1-9,12H,11H2,(H,22,23,24)