N'-(4-bromophenyl)carbonyl-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide

Systemtic Name: N'-(4-bromophenyl)carbonyl-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide Openeye Name: N'-(4-bromobenzoyl)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide CAS Name: N'-[(4-bromophenyl)-oxomethyl]-4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzohydrazide IUPAC Name: N'-(4-bromobenzoyl)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzohydrazide Traditional Name: N'-(4-bromobenzoyl)-4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzohydrazide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=C(C=C3)Br)C

InChI

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