N'-[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide

Systemtic Name: N'-[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Openeye Name: N'-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide CAS Name: N'-[6-(3-bromoanilino)-5-nitro-4-pyrimidinyl]-4-methylbenzenesulfonohydrazide IUPAC Name: N'-[6-(3-bromoanilino)-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide Traditional Name: N'-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Formula: C17H15BrN6O4S MolecularWeight: 479.3078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H15BrN6O4S/c1-11-5-7-14(8-6-11)29(27,28)23-22-17-15(24(25)26)16(19-10-20-17)21-13-4-2-3-12(18)9-13/h2-10,23H,1H3,(H2,19,20,21,22)