7-cyano-6-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate

Systemtic Name: 7-cyano-6-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 7-cyano-6-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 7-cyano-6-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 7-cyano-6-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 7-cyano-6-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-4-keto-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C16H8N5O3S2- MolecularWeight: 382.39642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N)C#N

InChI

InChI=1S/C16H9N5O3S2/c17-5-8-2-1-3-9(4-8)19-11(22)7-25-15-10(6-18)12-13(26-15)14(23)21-16(24)20-12/h1-4H,7H2,(H,19,22)(H2,20,21,23,24)/p-1