N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[[5-(2-methylthiazol-4-yl)-2-furyl]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[5-(2-methyl-4-thiazolyl)-2-furanyl]methyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[[5-(2-methylthiazol-4-yl)-2-furyl]methyl]phthalazine-1-carboxamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(O2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(O2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3S/c1-16-27-21(15-33-16)22-12-11-18(32-22)13-26-24(30)23-19-9-5-6-10-20(19)25(31)29(28-23)14-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,26,30)