N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-2-(quinazolin-4-ylthio)acetamide Formula: C23H15N5O4S MolecularWeight: 457.4613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=CC=CC=C3C4=NC5=C(O4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=CC=CC=C3C4=NC5=C(O4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H15N5O4S/c29-21(12-33-23-16-6-2-3-7-17(16)24-13-25-23)26-18-8-4-1-5-15(18)22-27-19-10-9-14(28(30)31)11-20(19)32-22/h1-11,13H,12H2,(H,26,29)