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

Systemtic Name: 2-[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[5-(4-bromophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[5-(4-bromophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[5-(4-bromophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C14H8BrN3OS MolecularWeight: 346.20182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=O)N(C=N3)CC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=O)N(C=N3)CC#N)Br

InChI

InChI=1S/C14H8BrN3OS/c15-10-3-1-9(2-4-10)11-7-20-13-12(11)14(19)18(6-5-16)8-17-13/h1-4,7-8H,6H2