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

Systemtic Name: 3-chloranyl-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-adamantane-1-carbohydrazide Openeye Name: 3-chloro-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]adamantane-1-carbohydrazide CAS Name: 3-chloro-N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-1-adamantanecarbohydrazide IUPAC Name: 3-chloro-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]adamantane-1-carbohydrazide Traditional Name: 3-chloro-N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]adamantane-1-carbohydrazide Formula: C25H29ClN4O2S MolecularWeight: 485.04136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C

InChI

InChI=1S/C25H29ClN4O2S/c1-15-7-16(2)28-23(27-15)33-13-17-3-5-20(6-4-17)21(31)29-30-22(32)24-9-18-8-19(10-24)12-25(26,11-18)14-24/h3-7,18-19H,8-14H2,1-2H3,(H,29,31)(H,30,32)