methyl 4-(2-azanyl-3,5-dicyano-6-pentylsulfanyl-pyridin-4-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-3,5-dicyano-6-pentylsulfanyl-pyridin-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3,5-dicyano-6-pentylsulfanyl-4-pyridyl)benzoate CAS Name: 4-[2-amino-3,5-dicyano-6-(pentylthio)-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3,5-dicyano-6-pentylsulfanylpyridin-4-yl)benzoate Traditional Name: 4-[2-amino-6-(amylthio)-3,5-dicyano-4-pyridyl]benzoic acid methyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

CCCCCSC1=C(C(=C(C(=N1)N)C#N)C2=CC=C(C=C2)C(=O)OC)C#N

InChI

InChI=1S/C20H20N4O2S/c1-3-4-5-10-27-19-16(12-22)17(15(11-21)18(23)24-19)13-6-8-14(9-7-13)20(25)26-2/h6-9H,3-5,10H2,1-2H3,(H2,23,24)