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

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C14H8ClN3OS3 MolecularWeight: 365.88082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(S2)SCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(S2)SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C14H8ClN3OS3/c15-7-1-2-10-9(5-7)17-14(22-10)21-6-11-16-8-3-4-20-12(8)13(19)18-11/h1-5H,6H2,(H,16,18,19)