5-nitro-3-[4-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,2-benzothiazole

Systemtic Name: 5-nitro-3-[4-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,2-benzothiazole Openeye Name: 5-nitro-3-[4-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,2-benzothiazole CAS Name: 5-nitro-3-[4-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,2-benzothiazole IUPAC Name: 5-nitro-3-[4-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,2-benzothiazole Traditional Name: 5-nitro-3-[4-(1,2,5,6-tetrahydropyrimidin-2-yl)phenyl]-1,2-benzothiazole Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(N=C1)C2=CC=C(C=C2)C3=NSC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNC(N=C1)C2=CC=C(C=C2)C3=NSC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O2S/c22-21(23)13-6-7-15-14(10-13)16(20-24-15)11-2-4-12(5-3-11)17-18-8-1-9-19-17/h2-8,10,17,19H,1,9H2