N-(1,3-benzothiazol-2-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(5-nitro-2-pyridyl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(5-nitro-2-pyridinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(5-nitropyridin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(5-nitro-2-pyridyl)thio]acetamide Formula: C14H10N4O3S2 MolecularWeight: 346.3842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O3S2/c19-12(8-22-13-6-5-9(7-15-13)18(20)21)17-14-16-10-3-1-2-4-11(10)23-14/h1-7H,8H2,(H,16,17,19)