N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-nitrobenzyl)thio]acetamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)CSCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)CSCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c26-21(14-30-13-15-8-10-18(11-9-15)25(27)28)23-17-5-3-4-16(12-17)22-24-19-6-1-2-7-20(19)29-22/h1-12H,13-14H2,(H,23,26)