N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2(CCCCC2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NO1)C2(CCCCC2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-12(27-15-8-6-14(7-9-15)22(24)25)16(23)20-18(10-4-3-5-11-18)17-19-13(2)26-21-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,23)