S-phthalazin-1-yl 2-phenylethanethioate

Systemtic Name: S-phthalazin-1-yl 2-phenylethanethioate Openeye Name: S-phthalazin-1-yl 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(1-phthalazinyl) ester IUPAC Name: S-phthalazin-1-yl 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-phthalazin-1-yl ester Formula: C16H12N2OS MolecularWeight: 280.34428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)SC2=NN=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)SC2=NN=CC3=CC=CC=C32

InChI

InChI=1S/C16H12N2OS/c19-15(10-12-6-2-1-3-7-12)20-16-14-9-5-4-8-13(14)11-17-18-16/h1-9,11H,10H2