N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-2-chloranyl-benzohydrazide

Systemtic Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-2-chloranyl-benzohydrazide Openeye Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-2-chloro-benzohydrazide CAS Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-4-pyrimidinyl]-2-chlorobenzohydrazide IUPAC Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitropyrimidin-4-yl]-2-chlorobenzohydrazide Traditional Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-2-chloro-benzohydrazide Formula: C18H12ClN7O3S MolecularWeight: 441.85098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H12ClN7O3S/c19-11-6-2-1-5-10(11)17(27)25-24-16-14(26(28)29)15(20-9-21-16)23-18-22-12-7-3-4-8-13(12)30-18/h1-9H,(H,25,27)(H2,20,21,22,23,24)