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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-14(2)13-25-21(27)18-6-4-3-5-17(18)19(24-25)20(26)23-11-12-28-16-9-7-15(22)8-10-16/h3-10,14H,11-13H2,1-2H3,(H,23,26)