2-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-2,3-dihydro-1,3-benzoxazin-4-one

Systemtic Name: 2-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-2,3-dihydro-1,3-benzoxazin-4-one Openeye Name: 2-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-2,3-dihydro-1,3-benzoxazin-4-one CAS Name: 2-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-2,3-dihydro-1,3-benzoxazin-4-one IUPAC Name: 2-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-2,3-dihydro-1,3-benzoxazin-4-one Traditional Name: 2-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-2,3-dihydro-1,3-benzoxazin-4-one Formula: C23H17N5O4S MolecularWeight: 459.47718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)C3NC(=O)C4=CC=CC=C4O3)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)C3NC(=O)C4=CC=CC=C4O3)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C23H17N5O4S/c1-27-20(14-7-3-2-4-8-14)25-26-23(27)33-19-12-11-15(13-17(19)28(30)31)22-24-21(29)16-9-5-6-10-18(16)32-22/h2-13,22H,1H3,(H,24,29)