ethyl (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-(7H-purin-6-ylsulfanyl)penta-2,4-dienoate

Systemtic Name: ethyl (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-(7H-purin-6-ylsulfanyl)penta-2,4-dienoate Openeye Name: ethyl (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-(7H-purin-6-ylsulfanyl)penta-2,4-dienoate CAS Name: (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-(7H-purin-6-ylthio)penta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-(7H-purin-6-ylsulfanyl)penta-2,4-dienoate Traditional Name: (2E,4Z)-5-(4-chlorophenyl)-2-cyano-5-(7H-purin-6-ylthio)penta-2,4-dienoic acid ethyl ester Formula: C19H14ClN5O2S MolecularWeight: 411.86476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C(C1=CC=C(C=C1)Cl)SC2=NC=NC3=C2NC=N3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C=C(/C1=CC=C(C=C1)Cl)\SC2=NC=NC3=C2NC=N3)/C#N

InChI

InChI=1S/C19H14ClN5O2S/c1-2-27-19(26)13(9-21)5-8-15(12-3-6-14(20)7-4-12)28-18-16-17(23-10-22-16)24-11-25-18/h3-8,10-11H,2H2,1H3,(H,22,23,24,25)/b13-5+,15-8-