4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(4,5-diphenyloxazol-2-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(4,5-diphenyl-2-oxazolyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(4,5-diphenyloxazol-2-yl)thio]methyl]-3-nitro-benzamide Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O4S/c24-22(27)17-11-12-18(19(13-17)26(28)29)14-31-23-25-20(15-7-3-1-4-8-15)21(30-23)16-9-5-2-6-10-16/h1-13H,14H2,(H2,24,27)