2-[4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzenecarbonitrile Openeye Name: 2-[4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzonitrile CAS Name: 2-[4-[(4-thieno[2,3-d]pyrimidinylthio)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzonitrile Traditional Name: 2-[4-[(thieno[2,3-d]pyrimidin-4-ylthio)methyl]phenyl]benzonitrile Formula: C20H13N3S2 MolecularWeight: 359.46732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H13N3S2/c21-11-16-3-1-2-4-17(16)15-7-5-14(6-8-15)12-25-20-18-9-10-24-19(18)22-13-23-20/h1-10,13H,12H2