ethyl 4-[(3-nitrophenyl)sulfanyl-$l^{2}-azanyl]-3,5-diphenyl-benzoate

Systemtic Name: ethyl 4-[(3-nitrophenyl)sulfanyl-$l^{2}-azanyl]-3,5-diphenyl-benzoate Openeye Name: ethyl 4-[(3-nitrophenyl)sulfanyl-$l^{2}-azanyl]-3,5-diphenyl-benzoate CAS Name: 4-[[(3-nitrophenyl)thio]-$l^{2}-azanyl]-3,5-diphenylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-nitrophenyl)sulfanyl-$l^{2}-azanyl]-3,5-diphenylbenzoate Traditional Name: 4-[[(3-nitrophenyl)thio]-$l^{2}-azanyl]-3,5-diphenyl-benzoic acid ethyl ester Formula: C27H21N2O4S MolecularWeight: 469.53164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N2O4S/c1-2-33-27(30)21-16-24(19-10-5-3-6-11-19)26(25(17-21)20-12-7-4-8-13-20)28-34-23-15-9-14-22(18-23)29(31)32/h3-18H,2H2,1H3