(phenylmethyl) 2-[6-azanyl-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[6-azanyl-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-phenetyl-2-pyridyl)thio]acetic acid benzyl ester Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C24H20N4O3S/c1-2-30-18-10-8-17(9-11-18)22-19(12-25)23(27)28-24(20(22)13-26)32-15-21(29)31-14-16-6-4-3-5-7-16/h3-11H,2,14-15H2,1H3,(H2,27,28)