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

Systemtic Name: N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[5-(3-chloro-4-methyl-benzyl)thiazol-2-yl]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(S3)CC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(S3)CC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C22H19ClN4O2S/c1-3-27-21(29)17-7-5-4-6-16(17)19(26-27)20(28)25-22-24-12-15(30-22)10-14-9-8-13(2)18(23)11-14/h4-9,11-12H,3,10H2,1-2H3,(H,24,25,28)