1-(6-nitro-1,3-benzothiazol-2-yl)-3-(pyridin-2-ylmethyl)urea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(pyridin-2-ylmethyl)urea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(2-pyridylmethyl)urea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(2-pyridinylmethyl)urea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(pyridin-2-ylmethyl)urea Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(2-pyridylmethyl)urea Formula: C14H11N5O3S MolecularWeight: 329.33384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O3S/c20-13(16-8-9-3-1-2-6-15-9)18-14-17-11-5-4-10(19(21)22)7-12(11)23-14/h1-7H,8H2,(H2,16,17,18,20)