4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-3-nitro-benzaldehyde

Systemtic Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-(4,5-diphenyloxazol-2-yl)sulfanyl-3-nitro-benzaldehyde CAS Name: 4-[(4,5-diphenyl-2-oxazolyl)thio]-3-nitrobenzaldehyde IUPAC Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[(4,5-diphenyloxazol-2-yl)thio]-3-nitro-benzaldehyde Formula: C22H14N2O4S MolecularWeight: 402.42256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14N2O4S/c25-14-15-11-12-19(18(13-15)24(26)27)29-22-23-20(16-7-3-1-4-8-16)21(28-22)17-9-5-2-6-10-17/h1-14H