5-chloranyl-7-nitro-N-(4-pyridin-4-ylsulfanylphenyl)-1,3-benzoxazol-2-amine

Systemtic Name: 5-chloranyl-7-nitro-N-(4-pyridin-4-ylsulfanylphenyl)-1,3-benzoxazol-2-amine Openeye Name: 5-chloro-7-nitro-N-[4-(4-pyridylsulfanyl)phenyl]-1,3-benzoxazol-2-amine CAS Name: 5-chloro-7-nitro-N-[4-(pyridin-4-ylthio)phenyl]-1,3-benzoxazol-2-amine IUPAC Name: 5-chloro-7-nitro-N-(4-pyridin-4-ylsulfanylphenyl)-1,3-benzoxazol-2-amine Traditional Name: (5-chloro-7-nitro-1,3-benzoxazol-2-yl)-[4-(4-pyridylthio)phenyl]amine Formula: C18H11ClN4O3S MolecularWeight: 398.82294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)SC4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC=C1NC2=NC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)SC4=CC=NC=C4

InChI

InChI=1S/C18H11ClN4O3S/c19-11-9-15-17(16(10-11)23(24)25)26-18(22-15)21-12-1-3-13(4-2-12)27-14-5-7-20-8-6-14/h1-10H,(H,21,22)