methyl 2-[2,4-bis(azanyl)-3,5-dicyano-6-sulfanylidene-pyridin-1-yl]benzoate

Systemtic Name: methyl 2-[2,4-bis(azanyl)-3,5-dicyano-6-sulfanylidene-pyridin-1-yl]benzoate Openeye Name: methyl 2-(2,4-diamino-3,5-dicyano-6-thioxo-1-pyridyl)benzoate CAS Name: 2-(2,4-diamino-3,5-dicyano-6-sulfanylidene-1-pyridinyl)benzoic acid methyl ester IUPAC Name: methyl 2-(2,4-diamino-3,5-dicyano-6-sulfanylidenepyridin-1-yl)benzoate Traditional Name: 2-(2,4-diamino-3,5-dicyano-6-thioxo-1-pyridyl)benzoic acid methyl ester Formula: C15H11N5O2S MolecularWeight: 325.34514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=C(C(=C(C2=S)C#N)N)C#N)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=C(C(=C(C2=S)C#N)N)C#N)N

InChI

InChI=1S/C15H11N5O2S/c1-22-15(21)8-4-2-3-5-11(8)20-13(19)9(6-16)12(18)10(7-17)14(20)23/h2-5H,18-19H2,1H3