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

Systemtic Name: methyl 2-[3-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]propanoylamino]benzoate CAS Name: 2-[[3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]propanoylamino]benzoic acid methyl ester Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=CC=C3C(=O)OC)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=CC=C3C(=O)OC)N)C#N

InChI

InChI=1S/C25H21N5O3S/c1-15-7-9-16(10-8-15)22-18(13-26)23(28)30-24(19(22)14-27)34-12-11-21(31)29-20-6-4-3-5-17(20)25(32)33-2/h3-10H,11-12H2,1-2H3,(H2,28,30)(H,29,31)