1-[7-(cyanomethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[7-(cyanomethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea Openeye Name: 1-[7-(cyanomethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[7-(cyanomethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[7-(cyanomethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-[7-(cyanomethyl)-6-nitro-1,3-benzothiazol-2-yl]-3-ethyl-urea Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])CC#N

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])CC#N

InChI

InChI=1S/C12H11N5O3S/c1-2-14-11(18)16-12-15-8-3-4-9(17(19)20)7(5-6-13)10(8)21-12/h3-4H,2,5H2,1H3,(H2,14,15,16,18)