sodium 7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-thiolate

Systemtic Name: sodium 7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-thiolate Openeye Name: sodium 7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidine-2-thiolate CAS Name: sodium 7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-thiolate IUPAC Name: sodium 7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-2-thiolate Traditional Name: sodium 4-keto-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidine-2-thiolate Formula: C11H11N2NaOS2 MolecularWeight: 274.33761

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[S-].[Na+]

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[S-].[Na+]

InChI

InChI=1S/C11H12N2OS2.Na/c1-5-2-3-6-7(4-5)16-10-8(6)9(14)12-11(15)13-10;/h5H,2-4H2,1H3,(H2,12,13,14,15);/q;+1/p-1