ethanedioic acid; 1-phenyl-4-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylamino]cyclohexane-1-carbonitrile

Systemtic Name: ethanedioic acid; 1-phenyl-4-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylamino]cyclohexane-1-carbonitrile Openeye Name: oxalic acid; 1-phenyl-4-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentylamino]cyclohexanecarbonitrile CAS Name: oxalic acid; 1-phenyl-4-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylamino]-1-cyclohexanecarbonitrile IUPAC Name: oxalic acid; 1-phenyl-4-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylamino]cyclohexane-1-carbonitrile Traditional Name: oxalic acid; 1-phenyl-4-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentylamino]cyclohexanecarbonitrile Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCCCCCC2=NC(=NO2)C3=CC=CS3)(C#N)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1NCCCCCC2=NC(=NO2)C3=CC=CS3)(C#N)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28N4OS.C2H2O4/c25-18-24(19-8-3-1-4-9-19)14-12-20(13-15-24)26-16-6-2-5-11-22-27-23(28-29-22)21-10-7-17-30-21;3-1(4)2(5)6/h1,3-4,7-10,17,20,26H,2,5-6,11-16H2;(H,3,4)(H,5,6)