2-[[5-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[5-(4-chlorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[5-(4-chlorophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[5-(4-chlorophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]indolizine-1-carbonitrile Formula: C22H13ClN4OS MolecularWeight: 416.88282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C22H13ClN4OS/c23-16-6-4-14(5-7-16)18-12-29-21-20(18)22(28)27(13-25-21)11-15-10-26-8-2-1-3-19(26)17(15)9-24/h1-8,10,12-13H,11H2