5-bromanyl-N'-(4-methylphenyl)carbonyl-2-(phenylmethylsulfanyl)pyrimidine-4-carbohydrazide

Systemtic Name: 5-bromanyl-N'-(4-methylphenyl)carbonyl-2-(phenylmethylsulfanyl)pyrimidine-4-carbohydrazide Openeye Name: 2-benzylsulfanyl-5-bromo-N'-(4-methylbenzoyl)pyrimidine-4-carbohydrazide CAS Name: 5-bromo-N'-[(4-methylphenyl)-oxomethyl]-2-(phenylmethylthio)-4-pyrimidinecarbohydrazide IUPAC Name: 2-benzylsulfanyl-5-bromo-N'-(4-methylbenzoyl)pyrimidine-4-carbohydrazide Traditional Name: 2-(benzylthio)-5-bromo-N'-p-toluoyl-pyrimidine-4-carbohydrazide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC=C3

InChI

InChI=1S/C20H17BrN4O2S/c1-13-7-9-15(10-8-13)18(26)24-25-19(27)17-16(21)11-22-20(23-17)28-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,24,26)(H,25,27)