2-(4-chlorophenyl)sulfanylethyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C17H13ClN2O3S MolecularWeight: 360.81472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2O3S/c18-11-5-7-12(8-6-11)24-10-9-23-17(22)15-13-3-1-2-4-14(13)16(21)20-19-15/h1-8H,9-10H2,(H,20,21)