4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dinitro-phenol

Systemtic Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dinitro-phenol Openeye Name: 4-(4,5-diphenyloxazol-2-yl)sulfanyl-2,6-dinitro-phenol CAS Name: 4-[(4,5-diphenyl-2-oxazolyl)thio]-2,6-dinitrophenol IUPAC Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-2,6-dinitrophenol Traditional Name: 4-[(4,5-diphenyloxazol-2-yl)thio]-2,6-dinitro-phenol Formula: C21H13N3O6S MolecularWeight: 435.40942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=N2)SC3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)SC3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H13N3O6S/c25-19-16(23(26)27)11-15(12-17(19)24(28)29)31-21-22-18(13-7-3-1-4-8-13)20(30-21)14-9-5-2-6-10-14/h1-12,25H