N-(4-butylphenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-2-3-5-14-8-10-16(11-9-14)21-18(25)13-29-20-23-22-19(28-20)15-6-4-7-17(12-15)24(26)27/h4,6-12H,2-3,5,13H2,1H3,(H,21,25)