N-[3-(1,3-dithian-2-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propionamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC(=CC=C2)NC(=O)CCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1CSC(SC1)C2=CC(=CC=C2)NC(=O)CCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S2/c25-18(10-11-19-23-20(24-26-19)15-6-2-1-3-7-15)22-17-9-4-8-16(14-17)21-27-12-5-13-28-21/h1-4,6-9,14,21H,5,10-13H2,(H,22,25)