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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)NNC(=O)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)NNC(=O)C4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

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