methyl 2-[2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C26H23N5O3S MolecularWeight: 485.55752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC=CC=C3C(=O)OC)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC=CC=C3C(=O)OC)N)C#N

InChI

InChI=1S/C26H23N5O3S/c1-15(2)16-8-10-17(11-9-16)23-19(12-27)24(29)31-25(20(23)13-28)35-14-22(32)30-21-7-5-4-6-18(21)26(33)34-3/h4-11,15H,14H2,1-3H3,(H2,29,31)(H,30,32)