4-[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]sulfanylphenol

Systemtic Name: 4-[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]sulfanylphenol Openeye Name: 4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]sulfanylphenol CAS Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]-4-pyrimidinyl]thio]phenol IUPAC Name: 4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]sulfanylphenol Traditional Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]thio]phenol Formula: C18H12ClN3OS MolecularWeight: 353.82538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CN=C(N=C2SC3=CC=C(C=C3)O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CN=C(N=C2SC3=CC=C(C=C3)O)N)Cl

InChI

InChI=1S/C18H12ClN3OS/c19-14-5-2-12(3-6-14)1-4-13-11-21-18(20)22-17(13)24-16-9-7-15(23)8-10-16/h2-3,5-11,23H,(H2,20,21,22)