N-[5-[(2-chloranyl-3-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[5-[(2-chloranyl-3-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[5-[(2-chloro-3-methyl-phenyl)methyl]thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[5-[(2-chloro-3-methylphenyl)methyl]-2-thiazolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[5-(2-chloro-3-methyl-benzyl)thiazol-2-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC2=CN=C(S2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)CC2=CN=C(S2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)Cl

InChI

InChI=1S/C20H15ClN4O2S/c1-11-5-4-6-12(16(11)21)9-13-10-22-20(28-13)23-19(27)17-14-7-2-3-8-15(14)18(26)25-24-17/h2-8,10H,9H2,1H3,(H,25,26)(H,22,23,27)