N-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S/c1-22-18(24)15-5-3-2-4-14(15)16(21-22)17(23)20-10-11-25-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,23)