5-bromanyl-N'-(4-methylphenyl)carbonyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carbohydrazide

Systemtic Name: 5-bromanyl-N'-(4-methylphenyl)carbonyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carbohydrazide Openeye Name: 5-bromo-N'-(4-methylbenzoyl)-2-(m-tolylmethylsulfanyl)pyrimidine-4-carbohydrazide CAS Name: 5-bromo-2-[(3-methylphenyl)methylthio]-N'-[(4-methylphenyl)-oxomethyl]-4-pyrimidinecarbohydrazide IUPAC Name: 5-bromo-N'-(4-methylbenzoyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carbohydrazide Traditional Name: 5-bromo-2-[(3-methylbenzyl)thio]-N'-p-toluoyl-pyrimidine-4-carbohydrazide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O2S/c1-13-6-8-16(9-7-13)19(27)25-26-20(28)18-17(22)11-23-21(24-18)29-12-15-5-3-4-14(2)10-15/h3-11H,12H2,1-2H3,(H,25,27)(H,26,28)