2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(1,3-benzothiazol-2-ylmethylthio)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H17N3OS3 MolecularWeight: 447.59558

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4S3)SC=C2C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4S3)SC=C2C5=CC=CC=C5

InChI

InChI=1S/C23H17N3OS3/c1-2-12-26-22(27)20-16(15-8-4-3-5-9-15)13-28-21(20)25-23(26)29-14-19-24-17-10-6-7-11-18(17)30-19/h2-11,13H,1,12,14H2