N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[2-[(1-methylimidazol-2-yl)thio]ethyl]phthalazine-1-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-26-13-11-24-22(26)30-14-12-23-20(28)19-17-9-5-6-10-18(17)21(29)27(25-19)15-16-7-3-2-4-8-16/h2-11,13H,12,14-15H2,1H3,(H,23,28)