5-chloranyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-2,3-dihydro-1-benzofuran-2-carbohydrazide

Systemtic Name: 5-chloranyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-2,3-dihydro-1-benzofuran-2-carbohydrazide Openeye Name: 5-chloro-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-2,3-dihydrobenzofuran-2-carbohydrazide CAS Name: 5-chloro-N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-2,3-dihydrobenzofuran-2-carbohydrazide IUPAC Name: 5-chloro-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-2,3-dihydro-1-benzofuran-2-carbohydrazide Traditional Name: 5-chloro-N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]coumaran-2-carbohydrazide Formula: C23H21ClN4O3S MolecularWeight: 468.95584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3CC4=C(O3)C=CC(=C4)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3CC4=C(O3)C=CC(=C4)Cl)C

InChI

InChI=1S/C23H21ClN4O3S/c1-13-9-14(2)26-23(25-13)32-12-15-3-5-16(6-4-15)21(29)27-28-22(30)20-11-17-10-18(24)7-8-19(17)31-20/h3-10,20H,11-12H2,1-2H3,(H,27,29)(H,28,30)