N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-(4-chlorophenyl)thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(4-chlorophenyl)-2-thiazolyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-(4-chlorophenyl)thiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C25H17ClN4O2S MolecularWeight: 472.94608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H17ClN4O2S/c26-18-12-10-17(11-13-18)21-15-33-25(27-21)28-23(31)22-19-8-4-5-9-20(19)24(32)30(29-22)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,27,28,31)