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

Systemtic Name: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[2-(6-nitro-1,3-benzoxazol-2-yl)phenyl]-2-(phenylthio)acetamide Formula: C21H15N3O4S MolecularWeight: 405.4265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C3=NC4=C(O3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C3=NC4=C(O3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c25-20(13-29-15-6-2-1-3-7-15)22-17-9-5-4-8-16(17)21-23-18-11-10-14(24(26)27)12-19(18)28-21/h1-12H,13H2,(H,22,25)