2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H13N3OS3 MolecularWeight: 407.53172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H13N3OS3/c24-18-17-13(12-6-2-1-3-7-12)10-25-19(17)23-16(22-18)11-26-20-21-14-8-4-5-9-15(14)27-20/h1-10H,11H2,(H,22,23,24)