methyl 4-[2-azanyl-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3,5-dicyano-pyridin-4-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3,5-dicyano-pyridin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-6-(2-amino-2-oxo-ethyl)sulfanyl-3,5-dicyano-4-pyridyl]benzoate CAS Name: 4-[2-amino-6-[(2-amino-2-oxoethyl)thio]-3,5-dicyano-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-6-(2-amino-2-oxoethyl)sulfanyl-3,5-dicyanopyridin-4-yl]benzoate Traditional Name: 4-[2-amino-6-[(2-amino-2-keto-ethyl)thio]-3,5-dicyano-4-pyridyl]benzoic acid methyl ester Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)N)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)N)N)C#N

InChI

InChI=1S/C17H13N5O3S/c1-25-17(24)10-4-2-9(3-5-10)14-11(6-18)15(21)22-16(12(14)7-19)26-8-13(20)23/h2-5H,8H2,1H3,(H2,20,23)(H2,21,22)