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

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

Systemtic Name:methyl 4-[2-azanyl-3,5-dicyano-6-(4-methoxycarbonylphenyl)sulfanyl-pyridin-4-yl]benzoate
Openeye Name:methyl 4-[2-amino-3,5-dicyano-6-(4-methoxycarbonylphenyl)sulfanyl-4-pyridyl]benzoate
CAS Name:4-[2-amino-3,5-dicyano-6-[(4-methoxycarbonylphenyl)thio]-4-pyridinyl]benzoic acid methyl ester
IUPAC Name:methyl 4-[2-amino-3,5-dicyano-6-(4-methoxycarbonylphenyl)sulfanylpyridin-4-yl]benzoate
Traditional Name:4-[2-amino-6-[(4-carbomethoxyphenyl)thio]-3,5-dicyano-4-pyridyl]benzoic acid methyl ester
Formula: C23H16N4O4S
MolecularWeight: 444.46254
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=C(C=C3)C(=O)OC)N)C#N


Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=C(C=C3)C(=O)OC)N)C#N


InChI

InChI=1S/C23H16N4O4S/c1-30-22(28)14-5-3-13(4-6-14)19-17(11-24)20(26)27-21(18(19)12-25)32-16-9-7-15(8-10-16)23(29)31-2/h3-10H,1-2H3,(H2,26,27)


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