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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NC4=C(C=CS4)C(=O)N3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NC4=C(C=CS4)C(=O)N3

InChI

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