5-[3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[3-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]propanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[3-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[3-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]propanoylamino]-2-chloro-benzoic acid Formula: C26H22ClN5O3S MolecularWeight: 520.00258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)N)C#N

InChI

InChI=1S/C26H22ClN5O3S/c1-14(2)15-3-5-16(6-4-15)23-19(12-28)24(30)32-25(20(23)13-29)36-10-9-22(33)31-17-7-8-21(27)18(11-17)26(34)35/h3-8,11,14H,9-10H2,1-2H3,(H2,30,32)(H,31,33)(H,34,35)