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

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H12ClN3OS3 MolecularWeight: 441.97678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C20H12ClN3OS3/c21-12-6-7-15-14(8-12)22-20(28-15)27-10-16-23-18(25)17-13(9-26-19(17)24-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,23,24,25)