7-cyano-6-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate

Systemtic Name: 7-cyano-6-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 7-cyano-6-(o-tolylmethylsulfanyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 7-cyano-6-[(2-methylphenyl)methylthio]-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 7-cyano-6-[(2-methylphenyl)methylsulfanyl]-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 7-cyano-4-keto-6-[(2-methylbenzyl)thio]-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C15H10N3O2S2- MolecularWeight: 328.3888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

InChI

InChI=1S/C15H11N3O2S2/c1-8-4-2-3-5-9(8)7-21-14-10(6-16)11-12(22-14)13(19)18-15(20)17-11/h2-5H,7H2,1H3,(H2,17,18,19,20)/p-1