3-(2-ethylhexyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(2-ethylhexyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(2-ethylhexyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(2-ethylhexyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(2-ethylhexyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(2-ethylhexyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C18H22N2OS2 MolecularWeight: 346.51008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

Isomeric SMILES

CCCCC(CC)CN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

InChI

InChI=1S/C18H22N2OS2/c1-3-5-8-12(4-2)11-20-17(21)16-15(19-18(20)22)13-9-6-7-10-14(13)23-16/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,22)