5-(1-adamantyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(1-adamantyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-(1-adamantyl)-N-[(Z)-1-(2-thienyl)ethylideneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-(1-adamantyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1-adamantyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-(1-adamantyl)-N-[(Z)-1-(2-thienyl)ethylideneamino]-1H-pyrazole-3-carboxamide Formula: C20H24N4OS MolecularWeight: 368.49576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=C1)C23CC4CC(C2)CC(C4)C3)C5=CC=CS5

Isomeric SMILES

C/C(=N/NC(=O)C1=NNC(=C1)C23CC4CC(C2)CC(C4)C3)/C5=CC=CS5

InChI

InChI=1S/C20H24N4OS/c1-12(17-3-2-4-26-17)21-24-19(25)16-8-18(23-22-16)20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,8,13-15H,5-7,9-11H2,1H3,(H,22,23)(H,24,25)/b21-12-