2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyrimido[2,1-b][1,3]benzothiazol-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyrimido[2,1-b][1,3]benzothiazol-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyrimido[2,1-b][1,3]benzothiazol-4-one CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-pyrimido[2,1-b][1,3]benzothiazolone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyrimido[2,1-b][1,3]benzothiazol-4-one Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Formula: C18H11N3OS3 MolecularWeight: 381.49444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

InChI

InChI=1S/C18H11N3OS3/c22-16-9-11(10-23-18-20-12-5-1-3-7-14(12)25-18)19-17-21(16)13-6-2-4-8-15(13)24-17/h1-9H,10H2