3-octyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-octyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-octyl-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-octyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-octyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-octyl-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C18H26N2OS2 MolecularWeight: 350.54184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=C(NC1=S)SC3=C2CCCC3

Isomeric SMILES

CCCCCCCCN1C(=O)C2=C(NC1=S)SC3=C2CCCC3

InChI

InChI=1S/C18H26N2OS2/c1-2-3-4-5-6-9-12-20-17(21)15-13-10-7-8-11-14(13)23-16(15)19-18(20)22/h2-12H2,1H3,(H,19,22)