2-[2-(3-oxidanyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(3-oxidanyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(3-hydroxybenzothiophen-2-yl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2-(3-hydroxy-1-benzothiophen-2-yl)-2-oxoethyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-(3-hydroxy-1-benzothiophen-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-(3-hydroxybenzothiophen-2-yl)-2-keto-ethyl]thio]-1H-pyrimidin-6-one Formula: C14H10N2O3S2 MolecularWeight: 318.3708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)CSC3=NC=CC(=O)N3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)CSC3=NC=CC(=O)N3)O

InChI

InChI=1S/C14H10N2O3S2/c17-9(7-20-14-15-6-5-11(18)16-14)13-12(19)8-3-1-2-4-10(8)21-13/h1-6,19H,7H2,(H,15,16,18)