N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-[4-(2-methylthiazol-4-yl)phenyl]ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-[4-(2-methyl-4-thiazolyl)phenyl]ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-[4-(2-methylthiazol-4-yl)phenyl]ethyl]-3H-phthalazine-1-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H18N4O2S/c1-13-23-18(12-28-13)15-8-6-14(7-9-15)10-11-22-21(27)19-16-4-2-3-5-17(16)20(26)25-24-19/h2-9,12H,10-11H2,1H3,(H,22,27)(H,25,26)