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

Systemtic Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Openeye Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide CAS Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-4-pyrimidinyl]-1-naphthalenecarbohydrazide IUPAC Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide Traditional Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Formula: C22H15N7O3S MolecularWeight: 457.4646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NNC3=NC=NC(=C3[N+](=O)[O-])NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NNC3=NC=NC(=C3[N+](=O)[O-])NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H15N7O3S/c30-21(15-9-5-7-13-6-1-2-8-14(13)15)28-27-20-18(29(31)32)19(23-12-24-20)26-22-25-16-10-3-4-11-17(16)33-22/h1-12H,(H,28,30)(H2,23,24,25,26,27)