1,3-bis(5-bromanylpyridin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea

Systemtic Name: 1,3-bis(5-bromanylpyridin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea Openeye Name: 1,3-bis(5-bromo-2-pyridyl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea CAS Name: 1,3-bis(5-bromo-2-pyridinyl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea IUPAC Name: 1,3-bis(5-bromopyridin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea Traditional Name: 1,3-bis(5-bromo-2-pyridyl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea Formula: C24H13Br2N7O5S MolecularWeight: 671.27692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C2=NC=C(C=C2)Br)C(=O)N(C3=NC=C(C=C3)Br)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(C2=NC=C(C=C2)Br)C(=O)N(C3=NC=C(C=C3)Br)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H13Br2N7O5S/c25-14-1-9-21(27-12-14)30(16-3-5-17(6-4-16)32(35)36)24(34)31(22-10-2-15(26)13-28-22)23-29-19-8-7-18(33(37)38)11-20(19)39-23/h1-13H