6-nitro-N-(4-pyridin-4-ylsulfanylphenyl)-1,3-benzoxazol-2-amine

Systemtic Name: 6-nitro-N-(4-pyridin-4-ylsulfanylphenyl)-1,3-benzoxazol-2-amine Openeye Name: 6-nitro-N-[4-(4-pyridylsulfanyl)phenyl]-1,3-benzoxazol-2-amine CAS Name: 6-nitro-N-[4-(pyridin-4-ylthio)phenyl]-1,3-benzoxazol-2-amine IUPAC Name: 6-nitro-N-(4-pyridin-4-ylsulfanylphenyl)-1,3-benzoxazol-2-amine Traditional Name: (6-nitro-1,3-benzoxazol-2-yl)-[4-(4-pyridylthio)phenyl]amine Formula: C18H12N4O3S MolecularWeight: 364.37788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-])SC4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC=C1NC2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-])SC4=CC=NC=C4

InChI

InChI=1S/C18H12N4O3S/c23-22(24)13-3-6-16-17(11-13)25-18(21-16)20-12-1-4-14(5-2-12)26-15-7-9-19-10-8-15/h1-11H,(H,20,21)