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

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea Openeye Name: 1-(5-bromo-2-pyridyl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea CAS Name: 1-(5-bromo-2-pyridinyl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea IUPAC Name: 1-(5-bromopyridin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea Traditional Name: 1-(5-bromo-2-pyridyl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea Formula: C19H11BrN6O5S MolecularWeight: 515.29684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)N(C2=NC=C(C=C2)Br)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)N(C2=NC=C(C=C2)Br)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H11BrN6O5S/c20-11-1-8-17(21-10-11)24(18(27)22-12-2-4-13(5-3-12)25(28)29)19-23-15-7-6-14(26(30)31)9-16(15)32-19/h1-10H,(H,22,27)